methane profile

Methane (CH4) is the simplest alkane, consisting of one carbon atom bonded to four hydrogen atoms. It is a colorless, odorless, and flammable gas. Methane is the primary component of natural gas and is a potent greenhouse gas.

Methane is naturally produced by the decomposition of organic matter in anaerobic conditions, such as in swamps, bogs, and landfills. It is also produced by human activities such as livestock farming, fossil fuel extraction, and wastewater treatment.

Methane is a valuable fuel source and is used to generate electricity, heat homes, and power vehicles. It is also used as a feedstock in the production of various chemicals, including methanol and formaldehyde.

Methane is a major contributor to climate change, with a global warming potential 84 times greater than carbon dioxide over a 20-year period. Reducing methane emissions is crucial for mitigating the effects of climate change.

Methane is a key molecule in atmospheric chemistry and plays a significant role in the formation of ozone and other air pollutants.

Researchers study methane to understand its role in climate change, its potential as an energy source, and its impact on air quality. They also investigate ways to reduce methane emissions and utilize it in a sustainable way.'

Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	297
CHEMBL ID	17564
CHEMBL ID	2106049
CHEBI ID	16183
MeSH ID	M0013556

Synonym
marsh gas
methyl hydride
tetrahydridocarbon
metano
methan
CHEBI:16183 ,
14493-06-2
natural gas
biogas
synthetic natural gas
liquified natural gas
gas, natural
einecs 232-343-9
un1971
c5m ,
r 50 (refrigerant)
brn 1718732
fire damp
un1972
hsdb 167
einecs 200-812-7
methane in gaseus state
CH4 ,
74-82-8
C01438
a methyl group
methane
methane-12c, 13c-depleted, 99.9 atom % 12c
463035_ALDRICH
methane, electronic grade, >=99.998%
fullerene soot, (as produced)
490210_ALDRICH
methane, >=99.0%
295477_ALDRICH
8006-14-2
na1361
nanotubes, carbon
0CB689EE-132E-4559-A597-C79A40192203
CHEMBL17564
AKOS005166816
KST-1A1445
AR-1A0383
KST-1A1563
AR-1A0497
150036-83-2
AC1L18XA
4qqn74lh4o ,
ec 231-953-2
unii-6grv67n0u2
ec 231-955-3
6grv67n0u2 ,
biodiesels
charcoal briquettes, shell, screenings, wood, etc. [na1361] [spontaneously combustible]
AC1Q2825
CHEMBL2106049
CTK2H7747
4xyu5u00c4 ,
methane, refrigerated liquid (cryogenic liquid) or natural gas, refrigerated liquid (cryogenic liquid) (with high methane content) [un1972] [flammable gas]
4-01-00-00003 (beilstein handbook reference)
unii-op0uw79h66
ec 200-812-7
methane, compressed or natural gas, compressed (with high methane content) [un1971] [flammable gas]
methane, refrigerated liquid (cryogenic liquid) or natural gas, refrigerated liquid (cryogenic liquid) (with high methane content)
op0uw79h66 ,
methane, compressed or natural gas, compressed (with high methane content)
methane-12c
methane [mi]
methane [ep monograph]
methane [who-dd]
methane [hsdb]
4h-pyrrolo[1,2-d][1,4]oxazocine-9-carboxaldehyde,1,2,5,6-tetrahydro-6-hydroxy-4,5-dimethyl-2-oxo-, (4r,5r,6s)-rel-
diamond powder (gray), 97+% nano
diamond synthesized, 95% nano
diamond powder (black), 52-65% nano
diamond powder (gray), 98+% nano
multi-walled carbon nanotubes (mwnts), 95+%, od 50-80 nm
single-walled carbon nanotubes (swnts-cooh)
multi-walled carbon nanotubes (mwnts), 95%, od 40-60 nm
oh functionalized single-walled carbon nanotubes (swnts-oh), purity (excluding -oh): 90% cnts, 60% swnts, content of -oh: 3.76-4.16 wt%
glassy carbon rod, 6mm (0.24in) dia, type 1
graphite rod, 10.0mm (0.40in) dia
single-walled carbon nanotubes (swnts)
multi-walled carbon nanotubes (mwnts), 95%
-cooh functionalized single-walled carbon nanotubes (swnts-cooh)
glassy carbon rod, 6mm (0.24in) dia, type 2
double-walled carbon nanotubes (dwnts)
oh functionalized single-walled carbon nanotubes (swnts-oh), purity (excluding -oh): 95% cnts, 90% swnts, content of ?oh: 3.76-4.16 wt%
graphite rod, 5.0mm (0.20in) dia
graphite powders, 99.9% (metals basis)
multi-walled carbon nanotubes (mwnts), 95%, outside diameter 20-30 nm
multi-walled carbon nanotubes (mwnts), 95+%
multi-walled carbon nanotubes (mwnts), 95%, outside diameter 10-20 nm
funct. multi-walled carbon nanotubes (mwnts-cooh), 95+%
multi-walled carbon nanotubes (mwnts), 90+%
-cooh functionalized multi-walled carbon nanotubes (mwnts-cooh), 95%
mfcd09753896
carbon nanotube array, multi-walled, on quartz (diameter= 100nm, length=30 microns)
graphene nanoplatelets (6-8 nm thick x 15 microns wide)
graphene nanoplatelets (6-8 nm thick x 25 microns wide)
graphene nanoplatelets (6-8 nm thick x 5 microns wide)
graphite powder, <20 um, synthetic
MEH ,
ch2h2
Q-200950
un 1972 (salt/mix)
un 1971 (salt/mix)
r 50
carbon dots
methylidyne radical
mfcd00144065
graphite powder, synthetic, aps 7-11 micron
glassy carbon rod, 7mm (0.28in) dia, type 2
graphite rod, 1.27cm (0.5in) dia x 61cm (24in) long
graphite electrode, counter-spherical tip, 6.15mm dia, 38.10 mm long
graphite powder, natural, universal grade, -200 mesh, 99.9995%
glassy carbon plate, 4mm (0.16in) thick, type 2
diamond powder, synthetic, <1 micron
graphite rod, 3.05mm (0.12in) dia x 305mm (12in) long
glassy carbon rod, 2mm (0.08in) dia, type 2
glassy carbon spherical powder, 0.4-12 micron, type 2
fullerene, buckytube/nanotube, single walled, 20-35% swnt
graphite powder, synthetic, conducting grade, -200 mesh
glassy carbon spherical powder, 0.4-12 micron, type 1
graphite powder, synthetic, conducting grade, -325 mesh
glassy carbon plate, 4mm (0.16in) thick, type 1
glassy carbon splinter powder, 80-200 micron, type 1
glassy carbon plate, 2mm (0.08in) thick, type 2
graphite electrode, counter-pointed tip, 3.06mm dia, 38.10 mm long
diamond powder, synthetic, 40-60 micron
graphite powder, natural, briquetting grade, -200 mesh
graphite plate, 1.27cm (0.5in) thick
graphite plate, 2.5cm (1.0in) thick
glassy carbon plate, 1mm (0.04in) thick, type 1
glassy carbon splinter powder, 0.4-12 micron, type 2
graphite powder, microcrystalline, -300 mesh, 75-82% c, 18-25% ash
graphite powder, natural, microcrystal grade, aps 2-15 micron
graphite powder, natural, briquetting grade, -100 mesh
glassy carbon rod, 7mm (0.28in) dia, type 1
graphite powder, synthetic, -20+100 mesh
graphite, fusion crucible, drillpoint, unpurified, volume 7.88cc
graphite powder, natural, high purity, -200 mesh
graphite rod, 6.15mm (0.242in) dia x 102mm (4in) long
glassy carbon spherical powder, 630-1000 micron, type 2
glassy carbon rod, 5mm (0.2in) dia, type 1
carbon sputtering target, 76.2mm (3.0in) dia x 3.18mm (0.125in) thick
graphite plate, resin impregnated, 6.35mm (0.25in) thick
glassy carbon rod, 1mm (0.04in) dia, type 1
glassy carbon splinter powder, 80-200 micron, type 2
graphite, fusion crucible, drillpoint, unpurified, volume 7.5cc
glassy carbon splinter powder, 20-50 micron, type 1
glassy carbon plate, 1mm (0.04in) thick, type 2
graphite foil, 0.254mm (0.01in) thick
graphite electrode, crater-drillpoint/undercut, 4.57mm dia, 38.10mm length, volume 0.040cc
carbon sputtering target, 50.8mm (2.0in) dia x 3.18mm (0.125in) thick
graphite plate, pyrolytic, 1.27x9.98x9.98mm (0.05x0.393x.393in)
carbon yarn, woven from 0.076mm (0.003in) dia fibers
glassy carbon splinter powder, 0.4-12 micron, type 1
glassy carbon spherical powder, 630-1000 micron, type 1
glassy carbon rod, 1mm (0.04in) dia, type 2
mfcd07370731
graphite rod, 2.54cm (1.0in) dia x 61cm (24in) long
carbon conductive cement adhesive
glassy carbon plate, 2mm (0.08in) thick, type 1
mfcd00211867
graphite rod, 6.3mm (0.25in) dia. x 61cm (24in) long
graphite, colloidal, lubricant, aerosol spray
carbon black, acetylene, 50% compressed
fullerene, buckytube/nanotube, single walled, > 60% swnt
glassy carbon spherical powder, 400-630 micron, type 2
glassy carbon rod, 2mm (0.08in) dia, type 1
glassy carbon rod, 5mm (0.2in) dia, type 2
carbon, mesoporous, nanopowder, graphitized, <500 nm particle size (dls), >99.95% trace metals basis
carbon, mesoporous, average pore diameter 100 ??+/-10 ?? (typical), >99.95% trace metals basis
carbon, mesoporous, hydrophilic pore surface
carbon nanofibers, graphitized, platelets (conical), >98% carbon basis, d x l 100 nm x 20-200 mum
carbon nanofibers, pyrolitically stripped, platelets (conical), >98% carbon basis, d x l 100 nm x 20-200 mum
carbon nanotube array, multi-walled, vertically aligned on silicon wafer substrate
carbon nanofibers, graphitized (iron-free), composed of conical platelets, d x l 100 nm x 20-200 mum
carbon nanotube array, multi-walled, vertically aligned on copper wafer substrate
carbon, mesoporous, nanopowder, <500 nm particle size (dls), >99.95% trace metals basis
methane, messer(r) cangas, 99.999%
mfcd00133992
carbon nanotubes, multi-walled, as produced cathode deposit
carbon nanotubes, multi-walled, ground core material
carbon nanotubes, multi-walled, core material
carbon nanotubes, multi-walled (diameter= 140nm, length= 7microns)(>90%nanotubes)
carbon nanotubes, multi-walled, arc-produced (diameter = 2-50nm, length = >2 microns) (55-65wt% nanotubes)
carbon black, super p conductive
mfcd06411993
carbon nanotubes, single-walled/double-walled
mfcd00146977
carbon powder, 99.999%, 5n
acetylene carbon
carbon rods, 5n
acetylene carbon black (100% compressed)
graphite rod, 3.8cm (1.5in) dia x 61cm (24in) long
graphite flake, natural, -10 mesh
graphite rod, 13cm (5.125in) dia x 30.5cm (12in) long
glassy carbon rod, 4mm (0.16in) dia, type 1
graphite ink for tantalum capacitors
graphite foil, 0.4mm (0.015in) thick
glassy carbon rod, 3mm (0.1in) dia, type 2
carbon felt, 3.18mm (0.125in) thick
graphite flake, median 7-10 micron
glassy carbon spherical powder, 200-400 micron, type 2
graphite rod, pyrolytic coated, 2mm (0.08in) dia x 152mm (6in) long
glassy carbon rod, 4mm (0.16in) dia, type 2
graphite foil, 0.13mm (0.005in) thick
carbon felt, 6.35mm (0.25in) thick
glassy carbon spherical powder, 200-400 micron, type 1
fullerene, nanotube, multi-walled, 20 nm od, 5-20 micron long
glassy carbon spherical powder, 10-20 micron, type 2
total organic carbon (toc), standard solution, specpure?, 1000 microgram/ml
graphite plate, highly oriented pyrolytic graphite (hopg), 10x10x1mm (0.394x0.394x0.039in), 0.8 +0.2 o mosaic angle
graphite foil, 0.5mm (0.02in) thick
graphite flake, natural, -325 mesh
glassy carbon rod, 3mm (0.1in) dia, type 1
fullerene, nanotube, multi-walled, as-produced cathode deposits, core and shell
graphite fusion crucible lid for stock number 40794, 2.54cm (1.0in) dia, 6.35mm (0.25in) thick
glassy carbon plate, 3mm (0.1in) thick, type 1
graphite plate, highly oriented pyrolytic graphite (hopg), 10x10x1mm (0.394x0.394x0.039in), 0.4 +0.1 o mosaic angle
graphite foil, 1mm (0.04in) thick
graphite plate, highly oriented pyrolytic graphite (hopg), 10x10x(1.6min)mm (0.394x0.394x0.079in), 0.4 +0.1 o mosaic angle
graphite powder, nickel coated, -100 mesh
carbon felt, 1.27cm (0.5in) thick
glassy carbon plate, 3mm (0.1in) thick, type 2
carbon felt, 2.54cm (1.0in) thick
graphite plate, highly oriented pyrolytic graphite (hopg), 10x10x(1.6min)mm (0.394x0.394x0.079in), 0.8 +0.2 o mosaic angle
glassy carbon spherical powder, 10-20 micron, type 1
carbon black, cp
methane, analytical standard
carbon - vitreous, foam, 150x150mm, thickness 2.5mm, bulk density 0.05g/cm3, porosity 96.5%
carbon, foil, 50x50mm, thickness 1.0mm, flexible graphite, 99.8%
carbon - vitreous, tube, 50mm, outside diameter 10mm, inside diameter 3mm, wall thickness 3.5mm, glassy carbon
carbon, foil, 100x100mm, thickness 0.35mm, flexible graphite, 99.8%
carbon, foil, 200x200mm, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon, rod, 50mm, diameter 25mm, graphite, 100%
carbon, fiber, 100m, tex number 400, number of filaments 12000, continuous multi-filament tow.
carbon, foil, 4mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, fiber, 50m, tex number 400, filament diameter 0.007mm, number of filaments 6000, grade tenax hta, epoxy sized (1.2%)
carbon - vitreous, foil, 200x200mm, thickness 1.0mm, glassy carbon
carbon, rod, 150mm, diameter 3.0mm, graphite, 100%
carbon, foil, 50mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon - vitreous, tube, 100mm, outside diameter 10mm, inside diameter 3mm, wall thickness 3.5mm, glassy carbon
carbon, foil, 15mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 100x100mm, thickness 5.0mm, rigid graphite, medium grain size, 99.5%
carbon, rod, 100mm, diameter 6.35mm, graphite, 100%
carbon, foil, 100x100mm, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 100x100mm, thickness 0.5mm, rigid graphite, fine grain size, 99.95%
carbon, rod, 50mm, diameter 1.0mm, graphite, 99.95%
carbon, foil, 100x100mm, thickness 0.2mm, flexible graphite, 99.8%
carbon - vitreous, foil, 25x25mm, thickness 4.0mm, glassy carbon
carbon, rod, 150mm, diameter 5.0mm, graphite, 100%
carbon, microleaf, 25x70mm, thinness 2.5mum, specific density 500mug/cm2, 99.997%
carbon, foil, 100x100mm, thickness 0.5mm, rigid graphite, fine grain size, 99.997%
carbon, fiber, 20m, tex number 420, filament diameter 0.01mm, number of filaments 3000, grade f180, epoxy sized (1.0%)
carbon, foil, 100x100mm, thickness 10.0mm, rigid graphite, medium grain size, 99.5%
carbon, microleaf, 25x70mm, thinness 0.50mum, specific density 100mug/cm2, temporary glass support, annealed, 99.997%
carbon, microleaf, 25x70mm, thinness 0.50mum, specific density 100mug/cm2, temporary glass support, 99.997%
carbon, foil, 150x150mm, thickness 0.35mm, flexible graphite, 99.8%
carbon, tube, graphite, 100mm, outside diameter 6.35mm, inside diameter 3.15mm, wall thickness 1.6mm, 99.95%
carbon, fabric, 250x250mm, weight.mu?? 92g, thickness 0.15mm, ends x picks/10cm 69x69, plain weave
carbon, foil, 150x150mm, thickness 5.0mm, rigid graphite, medium grain size, 99.5%
carbon, fiber, 1000m, tex number 200, filament diameter 0.007mm, number of filaments 3000, grade tenax hta, epoxy sized
carbon, foil, 25x25mm, thickness 0.5mm, pyrolytic graphite, 99.99%
carbon, tube, graphite, 150mm, outside diameter 12.7mm, inside diameter 9.5mm, wall thickness 1.6mm, 99.95%
carbon, rod, 100mm, diameter 1.0mm, graphite, 99.95%
carbon, foil, 8mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 50x50mm, thickness 0.5mm, flexible graphite, 99.8%
carbon, foil, 50x50mm, thickness 2.5mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, rod, 200mm, diameter 5.0mm, glassy carbon
carbon, fiber, 10m, tex number 200, filament diameter 0.007mm, number of filaments 3000, grade tenax hta, epoxy sized
carbon, foil, 50x50mm, thickness 0.2mm, pyrolytic graphite, 99.99%
carbon, foil, 50x50mm, thickness 0.125mm, rigid graphite, fine grain size, 99.95%
carbon, fabric coil, 1m, weight.mu?? 110g, thickness 0.5mm, ends x picks/10cm 130x130, plain weave
carbon, foil, 50x50mm, thickness 0.25mm, rigid graphite, fine grain size, 99.997%
carbon, foil, 250x250mm, thickness 1.0mm, flexible graphite, 99.8%
carbon - vitreous, rod, 100mm, diameter 10mm, glassy carbon
carbon, foil, 50x50mm, thickness 0.5mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 500x500mm, thickness 0.35mm, flexible graphite, 99.8%
carbon, foil, 6mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 50x50mm, thickness 5.0mm, rigid graphite, medium grain size, 99.5%
carbon, rod, 300mm, diameter 2.0mm, graphite, 100%
carbon, rod, 150mm, diameter 50mm, graphite, 99.95%
carbon, foil, 25x25mm, thickness 0.1mm, pyrolytic graphite, 99.99%
carbon, foil, 5x10mm, thickness 2.0mm, hopg
carbon, fiber, 100m, tex number 280, filament diameter 0.009mm, number of filaments 2000, grade f500, epoxy sized (1.0%)
carbon - vitreous, foam, 150x150mm, thickness 3.2mm, bulk density 0.05g/cm3, porosity 96.5%
carbon, foil, not light tested, 300x300mm, thickness 0.075mm, flexible graphite, 99.8%
carbon, fiber, 1000m, tex number 795, filament diameter 0.007mm, number of filaments 12000, grade xas, epoxy sized (1.6%)
carbon, tube, graphite, 47mm, outside diameter 6.35mm, inside diameter 3.15mm, wall thickness 1.6mm, 99.95%
carbon, rod, 100mm, diameter 25mm, graphite, 99.95%
carbon - vitreous, foil, 100x100mm, thickness 6.0mm, glassy carbon
carbon, microleaf, 50x70mm, thinness 1.25mum, specific density 250mug/cm2, 99.997%
carbon, foil, not light tested, 150x150mm, thickness 0.075mm, flexible graphite, 99.8%
carbon, tube, graphite, 100mm, outside diameter 3.18mm, inside diameter 1.18mm, wall thickness 1.0mm, 99.95%
carbon, fiber, 50m, tex number 280, filament diameter 0.009mm, number of filaments 2000, grade f500, epoxy sized (1.0%)
carbon, fiber, 500m, tex number 200, filament diameter 0.007mm, number of filaments 3000, grade tenax hta, epoxy sized
carbon, fiber, 100m, tex number 400, filament diameter 0.007mm, number of filaments 6000, grade tenax hta, epoxy sized (1.2%)
carbon, fiber, 20m, tex number 900, filament diameter 0.008mm, number of filaments 10000, grade hm, epoxy sized (0.7%)
carbon - vitreous, foam, 275x330mm, 0.05g.cmu??, porosity 96.5%, 24 pores/cm
carbon, rod, 300mm, diameter 5.0mm, graphite, 100%
carbon - vitreous, rod, 100mm, diameter 7.0mm, glassy carbon
carbon, rod, 50mm, diameter 1.5mm, graphite, 100%
carbon, foil, 150x150mm, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 150x150mm, thickness 0.125mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 100x100mm, thickness 1.0mm, glassy carbon
carbon, tube, graphite, 150mm, outside diameter 6.35mm, inside diameter 3.15mm, wall thickness 1.6mm, 99.95%
carbon, foil, 50x50mm, thickness 0.5mm, rigid graphite, fine grain size, 99.997%
carbon, foil, 150x150mm, thickness 0.5mm, rigid graphite, fine grain size, 99.95%
carbon, rod, 100mm, diameter 5.0mm, graphite, 100%
carbon, foil, 10x10mm, thickness 2.0mm, hopg
carbon, rod, 300mm, diameter 3.0mm, graphite, 100%
carbon, tube, graphite, 50mm, outside diameter 12.7mm, inside diameter 9.5mm, wall thickness 1.6mm, 99.95%
carbon, foil, 25x25mm, thickness 0.5mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foam, 300x300mm, thickness 30mm, bulk density 0.05g/cm3, porosity 96.5%
carbon, rod, 100mm, diameter 2.0mm, graphite, 100%
carbon, microleaf, 24x70mm, thinness 5.0mum, specific density 1000mug/cm2, 99.997%
carbon, foil, 150x150mm, thickness 10.0mm, rigid graphite, medium grain size, 99.5%
carbon, fabric, 500x500mm, weight.mu?? 375g, thickness 0.4mm, ends x picks/10cm 47x47, 2/2 twill weave
carbon, foil, 500x500mm, thickness 1.0mm, flexible graphite, 99.8%
carbon, foil, 150x150mm, thickness 0.25mm, rigid graphite, fine grain size, 99.95%
carbon, fiber, 1000m, tex number 720, filament diameter 0.011mm, number of filaments 4000, grade p25, epoxy sized
carbon, fabric, 1000x1000mm, weight.mu?? 375g, thickness 0.4mm, ends x picks/10cm 47x47, 2/2 twill weave
carbon, foil, 50x50mm, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 50x50mm, thickness 0.1mm, pyrolytic graphite, 99.99%
carbon, rod, 150mm, diameter 6.35mm, graphite, 100%
carbon - vitreous, foil, 50x50mm, thickness 1.0mm, glassy carbon
carbon, rod, 100mm, diameter 25mm, graphite, 100%
carbon, fabric coil, 0.5m, weight.mu?? 110g, thickness 0.5mm, ends x picks/10cm 130x130, plain weave
carbon, rod, 100mm, diameter 10.0mm, graphite, 100%
carbon - vitreous, rod, 50mm, diameter 1.0mm, glassy carbon
carbon, rod, 150mm, diameter 2.0mm, graphite, 100%
carbon, foil, 25x25mm, thickness 0.15mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 10x10mm, thickness 1.0mm, glassy carbon
carbon, foil, 500x500mm, thickness 0.2mm, flexible graphite, 99.8%
carbon, rod, 100mm, diameter 50mm, graphite, 99.95%
carbon, foil, 10mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, tube, graphite, 150mm, outside diameter 3.18mm, inside diameter 1.18mm, wall thickness 1.0mm, 99.95%
carbon, foil, 50x50mm, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 8mm disks, thickness 1.0mm, glassy carbon
carbon, foil, 150x150mm, thickness 0.5mm, flexible graphite, 99.8%
carbon, rod, 300mm, diameter 10.0mm, graphite, 100%
carbon, rod, 25mm, diameter 50mm, graphite, 99.95%
carbon, microleaf, 25x70mm, thinness 0.0025mum, specific density 0.5mug/cm2, temporary glass support, 99.997%
carbon, foil, 25x25mm, thickness 2.5mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 12mm disks, thickness 0.5mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 8x8mm, thickness 0.5mm, glassy carbon
carbon - vitreous, rod, 100mm, diameter 3.0mm, glassy carbon
carbon, fiber, 10m, tex number 900, filament diameter 0.008mm, number of filaments 10000, grade hm, epoxy sized (0.7%)
carbon, foil, 25x25mm, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, rod, 200mm, diameter 10mm, glassy carbon
carbon, tube, graphite, 100mm, outside diameter 12.7mm, inside diameter 9.5mm, wall thickness 1.6mm, 99.95%
carbon, chopped fiber, 100g, nominal diameter 0.007mm, fiber length 6mm, grade 34-700
carbon, microleaf, 25x70mm, thinness 0.25mum, specific density 50mug/cm2, temporary glass support, 99.997%
carbon - vitreous, foil, 100x100mm, thickness 2.0mm, glassy carbon
carbon, foil, 500x500mm, thickness 0.5mm, flexible graphite, 99.8%
carbon, microleaf, 25x70mm, thinness 0.025mum, specific density 5mug/cm2, temporary glass support, 99.997%
carbon, rod, 150mm, diameter 25mm, graphite, 100%
carbon, fabric, 150x150mm, weight.mu?? 200g, thickness 0.3mm, ends x picks/10cm 50x50, plain weave
carbon, foil, 25x25mm, thickness 0.125mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 10mm disks, thickness 0.2mm, glassy carbon
carbon, microleaf, 50x70mm, thinness 2.5mum, specific density 500mug/cm2, 99.997%
carbon - vitreous, rod, 200mm, diameter 7.0mm, glassy carbon
carbon, rod, 150mm, diameter 10.0mm, graphite, 100%
carbon, fiber, 20m, tex number 400, number of filaments 12000, continuous multi-filament tow.
carbon, rod, 2mm, diameter 0.5mm, graphite, 99.95%
carbon - vitreous, rod, 200mm, diameter 1.0mm, glassy carbon
carbon, fiber, 10m, tex number 400, filament diameter 0.007mm, number of filaments 6000, grade tenax hta, epoxy sized (1.2%)
carbon - vitreous, foil, 25x25mm, thickness 0.5mm, glassy carbon
carbon, foil, 12mm disks, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 15x15mm, thickness 2.0mm, hopg
carbon, chopped fiber, 200g, nominal diameter 0.007mm, fiber length 6mm, grade 34-700
carbon, fabric, 1000x1000mm, weight.mu?? 92g, thickness 0.15mm, ends x picks/10cm 69x69, plain weave
carbon - vitreous, foam, 300x300mm, thickness 20mm, bulk density 0.05g/cm3, porosity 96.5%
carbon - vitreous, foam, 275x330mm, thickness 3.2mm, bulk density 0.05g/cm3, porosity 96.5%
carbon, foil, 25x25mm, thickness 0.25mm, rigid graphite, fine grain size, 99.997%
carbon, fabric, 300x300mm, weight.mu?? 110g, thickness 0.5mm, ends x picks/10cm 130x130, plain weave
carbon - vitreous, foil, 50x50mm, thickness 4.0mm, glassy carbon
carbon, foil, 48x48mm, thickness 10.0mm, rigid graphite, medium grain size, 99.5%
carbon, foil, 100x100mm, thickness 0.25mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 150x150mm, thickness 1.0mm, flexible graphite, 99.8%
carbon, foil, 25x25mm, thickness 0.2mm, flexible graphite, 99.8%
carbon, foil, 100x100mm, thickness 0.5mm, flexible graphite, 99.8%
carbon, foil, 100x100mm, thickness 1.0mm, flexible graphite, 99.8%
carbon, rod, 50mm, diameter 50mm, graphite, 99.95%
carbon, fabric, 500x500mm, weight.mu?? 92g, thickness 0.15mm, ends x picks/10cm 69x69, plain weave
carbon - vitreous, foil, 10x10mm, thickness 2.0mm, glassy carbon
carbon, foil, not light tested, 150x150mm, thickness 0.125mm, flexible graphite, 99.8%
carbon, rod, 100mm, diameter 13.0mm, graphite, 100%
carbon - vitreous, foil, 25mm disks, thickness 0.2mm, glassy carbon
carbon, rod, 300mm, diameter 6.35mm, graphite, 100%
carbon, rod, 50mm, diameter 25mm, graphite, 99.95%
carbon, fiber, 200m, tex number 795, filament diameter 0.007mm, number of filaments 12000, grade xas, epoxy sized (1.6%)
carbon, fiber, 50m, tex number 795, filament diameter 0.007mm, number of filaments 12000, grade xas, epoxy sized (1.6%)
carbon - vitreous, rod, 100mm, diameter 5.0mm, glassy carbon
carbon, rod, 150mm, diameter 13.0mm, graphite, 100%
carbon, rod, 150mm, diameter 25mm, graphite, 99.95%
carbon - vitreous, rod, 5mm, diameter 3.0mm, glassy carbon
carbon, foil, 300x300mm, thickness 0.2mm, flexible graphite, 99.8%
carbon - vitreous, rod, 200mm, diameter 3.0mm, glassy carbon
carbon, foil, 25mm disks, thickness 0.2mm, flexible graphite, 99.8%
carbon, microleaf, 25x70mm, thinness 1.25mum, specific density 250mug/cm2, 99.997%
carbon - vitreous, rod, 100mm, diameter 1.0mm, glassy carbon
carbon, foil, 25x25mm, thickness 0.5mm, rigid graphite, fine grain size, 99.997%
carbon, tube, graphite, 50mm, outside diameter 3.18mm, inside diameter 1.18mm, wall thickness 1.0mm, 99.95%
carbon, foil, 25x25mm, thickness 0.25mm, rigid graphite, fine grain size, 99.95%
carbon, foil, not light tested, 100x100mm, thickness 0.075mm, flexible graphite, 99.8%
carbon, rod, 100mm, diameter 3.0mm, graphite, 100%
carbon, foil, 100x100mm, thickness 2.5mm, rigid graphite, fine grain size, 99.95%
carbon, foil, 100x100mm, thickness 0.25mm, rigid graphite, fine grain size, 99.997%
carbon, rod, 50mm, diameter 0.5mm, graphite, 99.95%
carbon, rod, 300mm, diameter 13.0mm, graphite, 100%
carbon, foil, 50x50mm, thickness 0.25mm, rigid graphite, fine grain size, 99.95%
carbon, fiber, 200m, tex number 280, filament diameter 0.009mm, number of filaments 2000, grade f500, epoxy sized (1.0%)
carbon, foil, 12.5x12.5mm, thickness 0.125mm, rigid graphite, fine grain size, 99.95%
carbon - vitreous, foil, 10x10mm, thickness 4.0mm, glassy carbon
carbon, foil, 250x250mm, thickness 0.35mm, flexible graphite, 99.8%
carbon, foil, 150x150mm, thickness 1.0mm, rigid graphite, fine grain size, 99.95%
carbon, rod, 300mm, diameter 25mm, graphite, 99.95%
carbon, fiber, 50m, tex number 400, number of filaments 12000, continuous multi-filament tow.
carbon, foil, 5x5mm, thickness 2.0mm, hopg
carbon, microleaf, 25x70mm, thinness 0.050mum, specific density 10mug/cm2, temporary glass support, 99.997%
carbon, foil, 250x250mm, thickness 0.5mm, flexible graphite, 99.8%
carbon - vitreous, foam, 150x150mm, 0.05g.cmu??, porosity 96.5%, 24 pores/cm
carbon, foil, not light tested, 300x300mm, thickness 0.125mm, flexible graphite, 99.8%
carbon, foil, 100x100mm, thickness 0.125mm, rigid graphite, fine grain size, 99.95%
carbon, fabric, 150x150mm, weight.mu?? 375g, thickness 0.4mm, ends x picks/10cm 47x47, 2/2 twill weave
carbon, foil, 50x50mm, thickness 0.35mm, flexible graphite, 99.8%
carbon, chopped fiber, 200g, nominal diameter 0.007mm, fiber length 1mm, grade 34-700
carbon fiber
fullerene c-70
mfcd31654066
fullerene - c70
74c
DB09278
high purity single-walled carbon nanotubes
cvd graphene on si 1cmx1cm(3-5 layers)
DTXSID8025545 ,
Q3333711
graphene quantum dots
nanodiamond (particle size :
graphene oxide, reduced
single layer graphene on pet 2cmx2cm(bilayer)
cvd graphene film on nickel 1-7 layers ,1cmx1cm
graphene oxide dispersion >500 nm(c:1mg/ml solvent:ethanol )
nanointegris swcnts with high purity
purified amio single-walled carbon nanotubes 1-2nm
hdplas functionalized graphene nanoplatelet(nh3 functionalized)
cvd graphene on copper foil 30cmx20cm(bilayer)
cvd graphene on copper foil 30cmx20cm(3-5 layers)
cvd graphene on quartz 1cmx1cm(3-5 layers)
cvd graphene on copper foil 10cmx5cm(6-8 layers)
graphitized multi-walled carbon nanotubes 10-20nm
ni coated multi-walled carbon nanotubes (ni-mwnt) 20-30nm
hydroxy purified multi-walled carbon nanotubes (mwnts-oh) >50 nm
hipco pure metallic hipco swnts solid
short multi wall carbon nanotubes (short-mwnts) 10-20nm
short carboxyl purified multi-walled carbon nanotubes(short-mwnts-cooh) 30-50nm
cvd graphene on plastic 1cmx1cm(monolayer)
short carboxyl purified multi-walled carbon nanotubes (short-mwnts-cooh) 10-20nm
nanointegris semiconductive swcnts 99.9%
nanointegris semiconductive swcnts 95%
6-8 layers graphene deposited on tem grids(carbon mesh, 5 pieces per box)
hdplas functionalized graphene nanoplatelet(oxygen functionalized)
graphite oxide powder
cvd graphene on sio2 1cmx1cm(bilayer)
cvd graphene on copper foil 10cmx5cm(monolayer)
cvd graphene on glass 1cmx1cm(3-5 layers)
graphene film deposited on tem grids(carbon film, 5 pieces per box)
carbon nanotube sponges xfcn07
cvd graphene on plastic 1cmx1cm(3-5 layers)
industrial single-walled carbon nanotubes (swnts) 1-2 nm
cvdgraphene on sio2 5cmx5cm(6-8 layers)
nanointegris swcnts with small diameter fe catalyst 5%
hydroxy purified multi-walled carbon nanotubes (mwnts-oh) 10-20nm
cvd graphene on sio2 1cmx1cm(monolayer)
isosol-s100 pure semiconductingswnt+dielectric ink
graphitized hydroxy multi-walled carbon nanotubes 8-15nm
single layer graphene on pet 2cmx2cm(6-8 layers)
aminated graphene amino-peg covalently linked
hdplas functionalized graphene nanoplatelet(fluorocarbon functionalized)
graphitized carboxyl multi-walled carbon nanotubes 8-15nm
cvd graphene on copper foil 15cmx10cm(6-8 layers)
cvd graphene on quartz 1cmx1cm(6-8 layers)
customized mwnts dispersion
industrial hydroxy grade multi-walled carbon nanotubes >50nm
carboxyl purified multi-walled carbon nanotubes (mwnts-cooh) 10-20nm
single layer graphene on pet 10cmx5cm(6-8 layers)
single layer graphene on pet 10cmx5cm(monolayer)
cvdgraphene on sio2 5cmx5cm(3-5 layers)
cvd graphene on quartz (1mm1cmx1cm(6-8 layers)
short industrial singlewalled carbon nanotubes (short-swnts) 1-2 nm
trivial transfer graphenetrade mark 5cmx5cm(bilayer)
highly oriented pyrolytic graphite grade c(size:5x5x1.0 mm)
nanointegris metallic swcnts90%
cvd graphene on glass 1cmx1cm(monolayer)
carbon nanotube sponges (l: 2 cm, w: 2 cm, h: 0.5 cm)
mwnts ethyl acetate suspension
short carboxyl purified multi-walled carbon nanotubes(short-mwnts-cooh) 20-30nm

Research Excerpts

Overview

Methane is a more potent greenhouse gas (GHG) than CO2, but it has a shorter atmospheric lifespan, thus its relative climate impact reduces significantly over time. Methane is an abundant and low-cost gas with high global warming potential and its use as a feedstock can help mitigate climate change.

Excerpt	Reference	Relevance
"Methane is an important greenhouse gas, which constitutes minimum 90% of automotive grade compressed natural gas (CNG) used in India. "	( An assessment of methane emission from the CNG cylinder testing stations in Delhi and its implication for global warming. Mina, U; Singh, N, 2023)	2.69
"Methane is a powerful greenhouse gas and is targeted for emissions mitigation by the US state of California and other jurisdictions worldwide"	( California's methane super-emitters. Bue, BD; Colombi, NK; Conley, S; Croes, BE; Duren, RM; Eastwood, ML; Falk, M; Foster, KT; Frankenberg, C; Green, RO; Herner, JD; Hopkins, FM; McCubbin, IB; Miller, CE; Rafiq, T; Thompson, DR; Thorpe, AK; Yadav, V, 2019)	2.33
"Methane is a more potent greenhouse gas (GHG) than CO2, but it has a shorter atmospheric lifespan, thus its relative climate impact reduces significantly over time. "	( Methane emissions: choosing the right climate metric and time horizon. Balcombe, P; Brandon, NP; Hawkes, AD; Speirs, JF, 2018)	3.37
"Methane is an end product of microbial fermentation in the human gastrointestinal tract. "	( Reduced B12 uptake and increased gastrointestinal formate are associated with archaeome-mediated breath methane emission in humans. Berg, IA; Fischmeister, FPS; Högenauer, C; Holasek, S; Kumpitsch, C; Lackner, S; Madl, T; Mahnert, A; Moissl-Eichinger, C; Schoepf, V; Springer, A; Sturm, C; Wilding, M, 2021)	2.28
"Methane is an abundant and low-cost gas with high global warming potential and its use as a feedstock can help mitigate climate change. "	( Recent trends in methane to bioproduct conversion by methanotrophs. Gęsicka, A; Oleskowicz-Popiel, P; Łężyk, M, 2021)	2.4
"Methane is a major greenhouse gas and a precursor of tropospheric ozone, and most of its sources are linked to anthropogenic activities. "	( A Portable Device for Methane Measurement Using a Low-Cost Semiconductor Sensor: Development, Calibration and Environmental Applications. Feliciano, M; Frare, L; Furst, L; Igrejas, G, 2021)	2.38
"Methane is a common industrial by-product that can be used as feedstock for production of the biopolymer polyhydroxybutyrate (PHB) by alphaproteobacterial methanotrophs. "	( In vivo quantification of polyhydroxybutyrate (PHB) in the alphaproteobacterial methanotroph, Methylocystis sp. Rockwell. Gudneppanavar, R; Konopka, M; Lazic, M; Sauvageau, D; Stein, LY; Whiddon, K, 2022)	2.16
"Methane is an important greenhouse gas, and emissions are expected to rise in Arctic wetland ecosystems when temperatures increase due to climate change. "	( Toward UAV-based methane emission mapping of Arctic terrestrial ecosystems. Christensen, TR; Mastepanov, M; Scheller, JH, 2022)	2.5
"Methane is a critical greenhouse gas with significant impacts on environmental and global change. "	( MCycDB: A curated database for comprehensively profiling methane cycling processes of environmental microbiomes. Ding, J; Gu, H; He, J; He, Q; He, Z; Liu, G; Liu, J; Peng, Y; Qian, L; Shu, L; Tian, Y; Tu, Q; Wang, C; Wang, S; Yan, Q; Yu, X; Zhou, J, 2022)	2.41
"Methane is a potent greenhouse gas of over 21 times the warming effect of carbon dioxide."	( Strategies to Mitigate Enteric Methane Emissions from Ruminant Animals. Kim, SW; Kwon, M; Sanjorjo, RA; Tseten, T, 2022)	1.73
"Methane is a powerful greenhouse gas and a source of energy. "	( Use of spray nozzles to recover dissolved methane from an Upflow Anaerobic Sludge Blanket (UASB) reactor effluent. Ditchfield, C; Ribeiro, R; Santos, CMQ; Tommaso, G, 2022)	2.43
"Methane is a widespread energy source and can serve as an attractive C1 building block for a future bioeconomy. "	( Crucial Role of the Chaperonin GroES/EL for Heterologous Production of the Soluble Methane Monooxygenase from Methylomonas methanica MC09. Lauterbach, L; Lettau, E; Lorent, C; Seifert, F; Singh, PK; Zill, D, 2022)	2.39
"Methane is a potent greenhouse gas in the atmosphere, and its concentration has continued to increase in recent decades. "	( The Proteobacterial Methanotroph Chen, Y; Cunningham, MR; Guillonneau, R; Kumaresan, D; Mausz, MA; Murphy, A; Murray, LL; Najmin, S; Scanlan, J; Zhang, L, 2022)	2.16
"The methane molecule is an archetypal species in the whole of chemistry for its ability to form four bonds that result in a myriad of compounds of chemical and biological importance. "	( CH Kalemos, A, 2022)	1.28
"Methane is an important readout for various diseases, including intestinal methanogen overgrowth."	( Methanogenic archaea in the human gastrointestinal tract. Hammer, HF; Hoegenauer, C; Mahnert, A; Moissl-Eichinger, C, 2022)	1.44
"Methane is a greenhouse gas with disastrous consequences when released to intolerable levels. "	( Diversity of gut methanogens and functional enzymes associated with methane metabolism in smallholder dairy cattle. Bett, RC; Gachuiri, CK; Kibegwa, FM; Ngetich, DK, 2022)	2.4
"Methane is a potent greenhouse gas."	( Feeding 3-nitrooxypropanol reduces methane emissions by feedlot cattle on tropical conditions. Acedo, TS; Araújo, TLR; Cardoso, AS; Carvalho, VV; Duval, SM; Fernandes, MHMR; Gouvea, VN; Kindermann, M; Rabelo, CHS; Reis, RA; Tamassia, LFM; Vasconcelos, GSFM, 2023)	1.91
"Methane is a powerful greenhouse gas that is produced in large quantities in marine sediments. "	( Gene-Based Modeling of Methane Oxidation in Coastal Sediments: Constraints on the Efficiency of the Microbial Methane Filter. Jetten, MSM; Lenstra, WK; Martins, PD; Slomp, CP; van Helmond, NAGM; Wallenius, AJ, 2023)	2.66
"Methane is a major greenhouse gas, and methanotrophs regulate the methane level in the carbon cycle. "	( Transcriptional regulation of soluble methane monooxygenase via enhancer-binding protein derived from Hwang, Y; Lee, SJ; Na, JG, 2023)	2.62
"Pure methane is an alternative source of cleaner energy. "	( Separation of methane from ethane and propane by selective adsorption and diffusion in MOF Cu-BTC: A molecular simulation study. Borah, B; Ponraj, YK, 2020)	1.43
"Methane is a potent greenhouse gas; methane production and consumption within seafloor sediments has generated intense interest. "	( Methyl-compounds driven benthic carbon cycling in the sulfate-reducing sediments of South China Sea. Joye, SB; Liang, Q; Montgomery, A; Wang, F; Xu, L; Zhuang, GC, 2021)	2.06
"Methane is a greenhouse gas that can be released from sludge anaerobic fermentation in wastewater treatment plants. "	( The indispensable role of assimilation in methane driven nitrate removal. Chen, Y; Li, X; Lu, Y; Wang, Y; Zeng, RJ; Zhu, G, 2020)	2.27
"Methane (CH4) is a greenhouse gas (GHG) produced and released by eructation to the atmosphere in large volumes by ruminants. "	( Review: Strategies for enteric methane mitigation in cattle fed tropical forages. Aguilar-Pérez, CF; Arango, J; Arceo-Castillo, JI; Castelán-Ortega, OA; Chirinda, N; Flores-Santiago, EJ; Galindo-Maldonado, FA; Jiménez-Ocampo, R; Ku-Vera, JC; Molina-Botero, IC; Montoya-Flores, MD; Piñeiro-Vázquez, AT; Ramírez-Avilés, L; Solorio-Sánchez, FJ; Valencia-Salazar, SS, 2020)	2.29
"Methane is a promising feedstock with high abundance and low cost for the sustainable production of biochemicals and biofuels. "	( Engineered Methanotrophy: A Sustainable Solution for Methane-Based Industrial Biomanufacturing. Lee, EY; Nguyen, AD, 2021)	2.31
"Methane is a greenhouse gas of high interest to the dairy industry, with 57% of Australia's dairy emissions attributed to enteric methane. "	( Genetic parameters for methane emission traits in Australian dairy cows. Abdelsayed, M; Chud, TCS; Cocks, BG; Goddard, ME; Marett, LC; Moate, PJ; Nguyen, TTT; Pryce, JE; Richardson, CM; Schenkel, FS; van den Berg, I; Wales, WJ; Williams, SRO, 2021)	2.37
"Methane gas is a very effective greenhouse gas and the second-largest contributor to global warming. "	( Experimental analysis and modeling of the methane degradation in a three stage biofilter using composted sawdust as packing media. Jawad, J; Khalil, MJ; Sengar, AK; Zaidi, SJ, 2021)	2.33
"Methane is an important energy resource internationally, and a large proportion of this methane is produced by microbial communities living in coal seams. "	( Aromatic compound-degrading taxa in an anoxic coal seam microbiome from the Surat Basin, Australia. C Campbell, B; C George, S; Gong, S; Greenfield, P; J Midgley, D; T Paulsen, I, 2021)	2.06
"Methane is a type of renewable fuel that can generate many types of high value-added chemicals, however, besides heat and power production, there is little methane utilization in most of the wastewater treatment plants (WWTPs) all round the world currently. "	( Methane in wastewater treatment plants: status, characteristics, and bioconversion feasibility by methane oxidizing bacteria for high value-added chemicals production and wastewater treatment. Li, J; Liu, Q; Wang, S; Wang, Z, 2021)	3.51
"Methane is a powerful greenhouse gas but the microbial diversity mediating methylotrophic methanogenesis is not well-characterized. "	( Diversity of dimethylsulfide-degrading methanogens and sulfate-reducing bacteria in anoxic sediments along the Medway Estuary, UK. Economou, CK; Eyice, Ö; Ghurnee, O; Trimmer, M; Tsola, SL; Zhu, Y, 2021)	2.06
"Methane is a short-lived greenhouse gas (GHG) modelled distinctly from long-lived GHGs such as carbon dioxide and nitrous oxide to establish global emission budgets for climate stabilisation. "	( Defining national biogenic methane targets: Implications for national food production & climate neutrality objectives. O'Donoghue, C; Prudhomme, R; Ryan, M; Styles, D, 2021)	2.36
"Methane on Mars is a topic of special interest because of its potential association with microbial life. "	( Methane Seepage on Mars: Where to Look and Why. Etiope, G; Oehler, DZ, 2017)	3.34
"Methane is a very potent greenhouse gas and can be oxidized aerobically or anaerobically through microbe-mediated processes, thus decreasing methane emissions in the atmosphere. "	( Community Composition and Ultrastructure of a Nitrate-Dependent Anaerobic Methane-Oxidizing Enrichment Culture. Cremers, G; Gambelli, L; Guerrero-Cruz, S; Jetten, MSM; Kartal, B; Lueke, C; Mesman, RJ; Op den Camp, HJM; van Niftrik, L, 2018)	2.15
"As methane emission is a longitudinal trait, it is important to investigate its changes over a full lactation."	( Heritability of methane emissions from dairy cows over a lactation measured on commercial farms. Mucha, S; Pszczola, M; Rzewuska, K; Strabel, T, 2017)	1.31
"Methane is a promising next-generation carbon feedstock for industrial biotechnology due to its low price and huge availability. "	( Biological conversion of methane to chemicals and fuels: technical challenges and issues. Hwang, IY; Lee, EY; Lee, OK; Nguyen, AD; Nguyen, LT; Nguyen, TT, 2018)	2.23
"Methane (CH4) is a natural by-product of gastro-enteric microbial fermentation of feedstuffs in the rumen and contributes to 6% of total CH4 emissions from anthropogenic-related sources."	( Host genetics and the rumen microbiome jointly associate with methane emissions in dairy cows. Difford, GF; Guldbrandtsen, B; Højberg, O; Kristensen, L; Lassen, J; Løvendahl, P; Nielsen, HB; Noel, SJ; Plichta, DR; Sahana, G; Wright, AG; Zhu, Z, 2018)	1.44
"Methane is a key compound in the global carbon cycle that influences both nutrient cycling and the Earth's climate. "	( An evolving view of methane metabolism in the Archaea. Boyd, JA; Evans, PN; Hugenholtz, P; Leu, AO; Parks, DH; Tyson, GW; Woodcroft, BJ, 2019)	2.28
"Nitromethane is a known toxicant and suspected human carcinogen. "	( Nitromethane Exposure from Tobacco Smoke and Diet in the U.S. Population: NHANES, 2007-2012. Blount, BC; Capella, KM; De Jesús, VR; Espenship, MF; Geldner, NB; Rasio, JP; Reese, CM; Rey deCastro, B; Silva, LK; Smith, MM; Woodford, AM, 2019)	1.54
"Methane is a primary greenhouse gas which is responsible for global warming. "	( Spatial-Temporal Pattern of Sulfate-Dependent Anaerobic Methane Oxidation in an Intertidal Zone of the East China Sea. Cai, C; Hu, B; Hu, J; Hua, M; Ma, F; Qian, H; Wang, J; Yang, H; Zheng, P, 2019)	2.2
"Methane is a potent greenhouse gas whose atmospheric dispersion may have different implications at distinct scales. "	( Atmospheric dispersion of methane emissions from sugarcane burning in Mexico. Aguilar-Rivera, N; Algara-Siller, M; Álvarez-Fuentes, G; Ávila-Galarza, A; Carbajal, N; Flores-Jiménez, DE; García, AR, 2019)	2.26
"Methane is a potent greenhouse gas responsible for 20-30% of global climate change effects. "	( Thermophilic methanotrophs: in hot pursuit. Carere, CR; Houghton, KM; McDonald, IR; Stott, MB, 2019)	1.96
"Methane is a powerful greenhouse gas, as well as the least reactive organic molecule."	( Humic substances as electron acceptors for anaerobic oxidation of methane driven by ANME-2d. Bai, YN; Fu, L; Lau, TC; Lu, YZ; Wang, XN; Wu, J; Zeng, RJ; Zhang, F, 2019)	1.47
"Methane is a potent greenhouse gas that is produced in significant quantities by aerobic marine organisms. "	( The catalytic mechanism for aerobic formation of methane by bacteria. Chakrabarti, M; Dangott, LJ; Kamat, SS; Raushel, FM; Williams, HJ, 2013)	2.09
"Methane is an important greenhouse gas and microbes in the environment play major roles in both global methane emissions and terrestrial sinks. "	( Methane, microbes and models: fundamental understanding of the soil methane cycle for future predictions. Baggs, L; Millard, P; Murrell, JC; Nazaries, L; Singh, BK, 2013)	3.28
"Methane is an effective greenhouse gas but has a short residence time in the atmosphere, and therefore, reductions in emissions can alleviate its greenhouse gas warming effect within a decadal time frame. "	( Validation and application of cavity-enhanced, near-infrared tunable diode laser absorption spectrometry for measurements of methane carbon isotopes at ambient concentrations. Baer, D; Dong, F; Gupta, M; Mortazavi, B; Wilson, BJ, 2013)	2.04
"Methane is an essential component of the global carbon cycle and one of the most powerful greenhouse gases, yet it is also a promising alternative source of carbon for the biological production of value-added chemicals. "	( Highly efficient methane biocatalysis revealed in a methanotrophic bacterium. Beck, DA; Bringel, F; Clubb, J; Fu, Y; Gowda, GA; Kalyuzhnaya, MG; Khmelenina, VN; Lamb, A; Lidstrom, ME; Raftery, D; Rozova, ON; Smalley, NE; Trotsenko, YA; Vuilleumier, S; Yang, S, 2013)	2.17
"Methane hydrate is an icelike substance that is stable at high pressure and low temperature in continental margin sediments. "	( Temporal constraints on hydrate-controlled methane seepage off Svalbard. Berndt, C; Bertics, VJ; Dumke, I; Dünnbier, K; Ferré, B; Feseker, T; Graves, C; Gross, F; Hissmann, K; Hühnerbach, V; Krastel, S; Krause, S; Liebetrau, V; Lieser, K; Niemann, H; Schauer, J; Steinle, L; Treude, T, 2014)	2.11
"Methane is an important greenhouse gas and the most abundant hydrocarbon in the Earth's atmosphere. "	( Autotrophic carbon dioxide fixation via the Calvin-Benson-Bassham cycle by the denitrifying methanotroph "Candidatus Methylomirabilis oxyfera". Ettwig, KF; Jetten, MS; Kool, DM; Rasigraf, O; Sinninghe Damsté, JS, 2014)	1.85
"Methane is an efficient absorber of infrared radiation and a potent greenhouse gas with a warming potential 72 times greater than carbon dioxide on a per molecule basis. "	( Performance evaluation of a 1.6-µm methane DIAL system from ground, aircraft and UAV platforms. Crawford, JH; Hair, JW; Ismail, S; Leifer, I; Nehrir, AR; Refaat, TF; Shuman, T, 2013)	2.11
"Methane is a major energy source for heating and electricity. "	( A genome-scale metabolic model of Methanococcus maripaludis S2 for CO2 capture and conversion to methane. Goyal, N; Karimi, IA; Widiastuti, H; Zhou, Z, 2014)	2.06
"Methane (CH4) is an important greenhouse gas because it has 25 times the global warming potential of carbon dioxide (CO2) by mass over a century. "	( Methane fluxes show consistent temperature dependence across microbial to ecosystem scales. Allen, AP; Bastviken, D; Conrad, R; del Giorgio, PA; Gudasz, C; St-Pierre, A; Thanh-Duc, N; Yvon-Durocher, G, 2014)	3.29
"Methane is an important greenhouse gas and tropospheric ozone precursor. "	( Demonstration of an ethane spectrometer for methane source identification. Agnese, M; Conley, SA; Fischer, M; Floerchinger, C; Herndon, SC; Hildebrandt, L; Karion, A; Koeth, J; Kofler, J; Kolb, CE; Kort, EA; McGovern, RM; McManus, JB; Nähle, L; Nelson, DD; Pétron, G; Roscioli, JR; Sweeney, C; Yacovitch, TI; Zahniser, MS, 2014)	2.11
"Methane is an important greenhouse gas and energy resource generated dominantly by methanogens at low temperatures and through the breakdown of organic molecules at high temperatures. "	( Gas formation. Formation temperatures of thermogenic and biogenic methane. Davis, CL; Eiler, JM; Ellis, GS; Ferreira, AA; Lawson, M; Lewan, MD; Martini, AM; Santos Neto, EV; Schoell, M; Sessions, AL; Stolper, DA; Tang, Y, 2014)	2.08
"Methane is a potent greenhouse gas and its emission from municipal wastewater treatment plants (WWTPs) should be prevented. "	( Effect of process design and operating parameters on aerobic methane oxidation in municipal WWTPs. Daelman, MRJ; Van Eynde, T; van Loosdrecht, MCM; Volcke, EIP, 2014)	2.09
"Methane is a powerful greenhouse gas and its biological conversion in marine sediments, largely controlled by anaerobic oxidation of methane (AOM), is a crucial part of the global carbon cycle. "	( Iron-mediated anaerobic oxidation of methane in brackish coastal sediments. Bândă, N; Egger, M; Ettwig, KF; Jetten, MS; Jilbert, T; Kartal, B; Rasigraf, O; Röckmann, T; Sapart, CJ; Slomp, CP; van der Veen, C, 2015)	2.13
"Methane fermentation is an attractive technology for the treatment of organic wastes and wastewaters. "	( Dynamics of the microbial community during continuous methane fermentation in continuously stirred tank reactors. Kida, K; Morimura, S; Shigematsu, T; Tang, YQ, 2015)	2.11
"Methane is a potent greenhouse gas generated from the anaerobic decomposition of waste in landfills. "	( Characterization of uncertainty in estimation of methane collection from select U.S. landfills. Barlaz, MA; DeCarolis, JF; Nagpure, AS; Wang, X, 2015)	2.11
"Methane is an abundant gas used in energy recovery systems, heating, and transport. "	( Methane as a resource: can the methanotrophs add value? Clarke, WP; Strong, PJ; Xie, S, 2015)	3.3
"Methane is a key component in the global carbon cycle, with a wide range of anthropogenic and natural sources. "	( Methane cycling. Nonequilibrium clumped isotope signals in microbial methane. Cardace, D; Delwiche, KB; Gruen, DS; Hemond, HF; Hinrichs, KU; Hoehler, TM; Holden, JF; Hristov, AN; Könneke, M; Kubo, MD; Lollar, BS; McIntosh, JC; Morrill, PL; Ono, S; Pohlman, JW; Reeves, EP; Ritter, DJ; Seewald, JS; Stewart, LC; Sutcliffe, CN; Wang, DT, 2015)	3.3
"Methane is an important greenhouse gas, but characterizing production by source sector has proven difficult. "	( The importance of considering animal body mass in IPCC greenhouse inventories and the underappreciated role of wild herbivores. Elliott, SM; Lyons, SK; Smith, FA; Wagner, PJ, 2015)	1.86
"Methane emission is an important tool in the evaluation of manure management systems due to the potential impact it has on global climate change. "	( Lab-assay for estimating methane emissions from deep-pit swine manure storages. Andersen, DS; Pepple, LM; Trabue, SL; Van Weelden, MB, 2015)	2.16
"Methane (CH4) is a readily available feedstock for production of polyhydroxyalkanoates (PHAs). "	( Long-term cultivation of a stable Methylocystis-dominated methanotrophic enrichment enabling tailored production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate). Criddle, CS; Galega, WM; Myung, J; Van Nostrand, JD; Yuan, T; Zhou, J, 2015)	1.86
"Methane is a feedstock of interest for the future, both from natural gas and from renewable biogas sources. "	( Bioreactor performance parameters for an industrially-promising methanotroph Methylomicrobium buryatense 5GB1. Chu, F; Gilman, A; Laurens, LM; Lidstrom, ME; Pienkos, PT; Puri, AW, 2015)	1.86
"Methane (CH) is a potent greenhouse gas that is normally produced by microbial fermentation in the rumen and released to the environment mainly during eructation. "	( Technical Note: Predicting ruminal methane inhibition by condensed tannins using nonlinear exponential decay regression analysis. Fonseca, MA; Naumann, HD; Tedeschi, LO, 2015)	2.14
"Methane is a common gas which has been reported to play a protective role in organ injury and presents an anti-inflammatory property. "	( Methane-rich saline protects against concanavalin A-induced autoimmune hepatitis in mice through anti-inflammatory and anti-oxidative pathways. Bao, S; Deng, X; Fei, M; He, R; Li, J; Meng, Y; Wang, L; Wang, Y; Zhu, J, 2016)	3.32
"Nitromethane (CH3NO2) is an important organic chemical raw material with a wide variety of applications as well as one of the most common pollutants. "	( Highly sensitive amperometric biosensor based on electrochemically-reduced graphene oxide-chitosan/hemoglobin nanocomposite for nitromethane determination. Wang, S; Wen, W; Wen, Y; Zhang, X, 2016)	1.15
"Methane (CH4) is a greenhouse gas, and paddy fields are one of its main anthropogenic emission sources. "	( Development of a method for estimating total CH4 emission from rice paddies in Japan using the DNDC-Rice model. Fumoto, T; Hayano, M; Ishigooka, Y; Kajiura, M; Katayanagi, N; Kuwagata, T; Sawano, S; Shirato, Y; Sudo, S; Takata, Y; Yagi, K, 2016)	1.88
"Methane is a low-cost feedstock for the production of polyhydroxyalkanoate biopolymers, but methanotroph fermentations are limited by the low solubility of methane in water. "	( Low energy emulsion-based fermentation enabling accelerated methane mass transfer and growth of poly(3-hydroxybutyrate)-accumulating methanotrophs. Criddle, CS; Kim, M; Myung, J; Pan, M; Tang, SK, 2016)	2.12
"Methane (CH) is a product of enteric fermentation in ruminants, and it represents around 17% of global CH emissions. "	( Genomewide association study of methane emissions in Angus beef cattle with validation in dairy cattle. Arthur, PF; De Haas, Y; Donoghue, KA; Hayes, BJ; Khansefid, M; Manzanilla-Pech, CI; Pryce, JE; Veerkamp, RF, 2016)	2.16
"Methane is a potent greenhouse gas with a global warming potential ~23 times that of carbon dioxide. "	( Feasibility of atmospheric methane removal using methanotrophic biotrickling filters. Carey, JN; Semrau, JD; Yoon, S, 2009)	2.09
"Methane is a strong greenhouse gas and landfills are one of the major anthropogenic sources of atmospheric methane."	( Microbial methane oxidation processes and technologies for mitigation of landfill gas emissions. Bogner, JE; De Visscher, A; Gebert, J; Hilger, HA; Huber-Humer, M; Kjeldsen, P; Scheutz, C; Spokas, K, 2009)	1.48
"Methane is an end product of ruminal fermentation that is energetically wasteful and contributes to global climate change. "	( Investigating unsaturated fat, monensin, or bromoethanesulfonate in continuous cultures retaining ruminal protozoa. I. Fermentation, biohydrogenation, and microbial protein synthesis. Firkins, JL; Gilligan, LE; Karnati, SK; Ribeiro, CV; Sylvester, JT, 2009)	1.8
"Methane is a dominant end-product of anaerobic mineralization processes. "	( Methane emission from natural wetlands: interplay between emergent macrophytes and soil microbial processes. A mini-review. Laanbroek, HJ, 2010)	3.25
"Methane (CH(4)) is a potent greenhouse gas (GHG), having a global warming potential 21 times that of carbon dioxide (CO(2)). "	( The genome sequence of the rumen methanogen Methanobrevibacter ruminantium reveals new possibilities for controlling ruminant methane emissions. Altermann, E; Attwood, GT; Dey, D; Janssen, PH; Kelly, WJ; Kong, Z; Lambie, SC; Leahy, SC; Li, D; McTavish, S; Pacheco, DM; Ronimus, RS; Sang, C; Yeoman, CJ, 2010)	2.01
"Methane is a strong greenhouse gas. "	( The potential for releasing methane from artificial lakes in Central Germany--a 13C study. Czegka, W; Hanisch, C; Junge, FW; Nitzsche, HM; Zerling, L, 2009)	2.09
"Methane is an important greenhouse gas emitted from landfill sites and old waste dumps. "	( Impact of different plants on the gas profile of a landfill cover. Gerzabek, MH; Reichenauer, TG; Riesing, J; Watzinger, A, 2011)	1.81
"Methane is a strong greenhouse gas which is produced from a number of sources including fossil fuel combustion, municipal waste, and sewage processing, etc."	( Ground level volume mixing ratio of methane in a tropical coastal city. Thomas, G; Zachariah, EJ, 2012)	1.38
"Methane is an important energy source that is often highly diluted by nitrogen in natural gas."	( Porous covalent electron-rich organonitridic frameworks as highly selective sorbents for methane and carbon dioxide. Kull, LD; Landskron, K; Mohanty, P, 2011)	1.31
"Methane is a suffocating gas, and "methane deaths" are largely the result of suffocation by gas-air displacement after accidental or deliberate exposure. "	( Homicide by methane gas. d'Aloja, E; De-Giorgio, F; Fucci, N; Grassi, VM; Pascali, VL; Rossi, R; Vetrugno, G, 2012)	2.2
"Methane is a desirable alternative to conventional fossil fuels, and also a main component of biogas from anaerobic fermentation of organic wastes. "	( Improving biogas separation and methane storage with multilayer graphene nanostructure via layer spacing optimization and lithium doping: a molecular simulation investigation. Chen, JJ; Li, WW; Li, XL; Yu, HQ, 2012)	2.11
"Methane is a greenhouse gas with a significant anthropogenic contribution from cattle production. "	( Technical note: test of a low-cost and animal-friendly system for measuring methane emissions from dairy cows. Brask, M; Hellwing, AL; Hvelplund, T; Lund, P; Weisbjerg, MR, 2012)	2.05
"Methane is an important greenhouse gas that is emitted from multiple natural and anthropogenic sources. "	( Natural and anthropogenic variations in methane sources during the past two millennia. Blunier, T; Dahl-Jensen, D; Houweling, S; Kaplan, JO; Krol, MC; Krumhardt, KM; Martinerie, P; Monteil, G; Prokopiou, M; Röckmann, T; Sapart, CJ; Sowers, T; Sperlich, P; van de Wal, RS; van der Veen, C; Witrant, E, 2012)	2.09
"Methane is an intestinal gas which may be excreted in the expired air of about 10% of children."	( [Breath methane in children with chronic constipation]. de Morais, MB; Fagundes-Neto, U; Soares, AC; Tahan, S, )	2.01
"Methane ( CH4) is an important greenhouse gas and a major environmental pollutant, second only to carbon dioxide (CO2) in its contribution to potential global warming. "	( CH4 emission and recovery from municipal solid waste in China. Wang, DH; Xu, XH; Yang, YP, )	1.57
"Methane (CH4) is an important greenhouse gas emitted by vehicles. "	( Methane emissions from vehicles. Jensen, TE; Nam, EK; Wallington, TJ, 2004)	3.21
"Methane is an active Greenhouse effect gas whose concentration will likely increase in the future. "	( How to oxidize atmospheric CH(4)?--A challenge for the future. Chazelas, B; Léger, A; Ollivier, M, 2006)	1.78
"Methane is an important greenhouse gas and its atmospheric concentration has almost tripled since pre-industrial times. "	( Methane emissions from terrestrial plants under aerobic conditions. Brass, M; Hamilton, JT; Keppler, F; Röckmann, T, 2006)	3.22
"Methane, which is an important greenhouse gas, is to a large part produced by methanogenic archaea in anoxic soils and sediments. "	( Rice Cluster I methanogens, an important group of Archaea producing greenhouse gas in soil. Conrad, R; Erkel, C; Liesack, W, 2006)	1.78
"Methane is an important greenhouse gas, and its atmospheric concentration has nearly tripled since pre-industrial times. "	( Contribution of anthropogenic and natural sources to atmospheric methane variability. Bousquet, P; Brunke, EG; Carouge, C; Ciais, P; Dlugokencky, EJ; Hauglustaine, DA; Langenfelds, RL; Lathière, J; Miller, JB; Papa, F; Peylin, P; Prigent, C; Ramonet, M; Schmidt, M; Steele, LP; Tyler, SC; Van der Werf, GR; White, J, 2006)	2.01
"Methane is an inert tracer gas used to obtain TLC estimates during single breath diffusion capacity (DL(CO)) measurements. "	( Total lung capacity: single breath methane dilution versus plethysmography in normals. Chinchilli, VM; Coelho-D'Costa, V; Dartey-Hayford, S; Magari, RT; Pesola, GR, 2007)	2.06
"Methane is a potentially inexpensive, widely available electron donor for biological denitrification of wastewater, landfill leachate or drinking water. "	( Denitrification with methane as external carbon source. Fukushi, K; Modin, O; Yamamoto, K, 2007)	2.1
"Methane oxidation is a key process controlling methane emission from anoxic habitats into the atmosphere. "	( A methane-driven microbial food web in a wetland rice soil. Frenzel, P; Murase, J, 2007)	2.5
"Methane is an inert gas and has probably no direct effect in man."	( [Hydrogen metabolism in the large intestine--physiology and clinical implications]. Christl, SU; Kasper, H; Scheppach, W, 1995)	1.01
"Methane is an important climate gas contributing significantly to global warming. "	( Measurements of methane emissions from landfills using a time correlation tracer method based on FTIR absorption spectroscopy. Borjesson, G; Galle, B; Samuelsson, J; Svensson, BH, 2001)	2.1
"Methane is a product of the energy-yielding pathways of the largest and most phylogenetically diverse group in the Archaea. "	( Biochemistry of methanogenesis. Ferry, JG, 1992)	1.73

Effects

Pure methane has a calorific value of 9100 kcal/m(3) at 15.5 degrees C and 1 atm. Methane presence has a negligible impact on lignin conversion, but improves arene yield and BTEX selectivity.

Methane has the second-largest global radiative forcing impact of anthropogenic greenhouse gases after carbon dioxide. Methane has been demonstrated to be a feasible substrate for electricity generation in microbial fuel cells (MFCs) and denitrifying anaerobic methane oxidation.

Excerpt	Reference	Relevance
"Methane has a significantly larger warming potential than carbon dioxide."	( Recent Advances Toward Transparent Methane Emissions Monitoring: A Review. Erland, BM; Gamon, JA; Thorpe, AK, 2022)	1.72
"Methane production has a positive correlation with the applied voltage, reaching 12.9 mL"	( Operationalization of a microbial electrolysis cell: The interaction of the primary factors for energy storage efficiency. Lie, TT; Pérez, D; Weber, CC, 2021)	1.34
"Methane presence has a negligible impact on lignin conversion, but improves arene yield and BTEX selectivity."	( Maximizing the production of aromatic hydrocarbons from lignin conversion by coupling methane activation. Song, H; Wang, A, 2018)	1.43
"Methane also has a demonstrated anti-inflammatory potential."	( Inhaled Methane Limits the Mitochondrial Electron Transport Chain Dysfunction during Experimental Liver Ischemia-Reperfusion Injury. Boros, M; Cao, C; Hartmann, P; Kaszaki, J; Kaszonyi, E; Mészáros, A; Strifler, G; Szél, E; Tuboly, E, 2016)	1.59
"Pure methane has a calorific value of 9100 kcal/m(3) at 15.5 degrees C and 1 atm; the calorific value of biogas varies from 4800 to 6900 kcal/m(3)."	( Application of polyimide membranes for biogas purification and enrichment. Chmielewski, AG; Harasimowicz, M; Orluk, P; Zakrzewska-Trznadel, G, 2007)	0.79
"Methane has the second-largest global radiative forcing impact of anthropogenic greenhouse gases after carbon dioxide, but our understanding of the global atmospheric methane budget is incomplete. "	( Upward revision of global fossil fuel methane emissions based on isotope database. Arling, VA; Bruhwiler, LM; Dlugokencky, EJ; Etiope, G; Michel, SE; Miller, JB; Schwietzke, S; Sherwood, OA; Tans, PP; Vaughn, BH; White, JW, 2016)	2.15
"Methane has been proposed as an exoplanet biosignature. "	( The case and context for atmospheric methane as an exoplanet biosignature. Fortney, JJ; Krissansen-Totton, J; Telus, M; Thompson, MA; Wogan, N, 2022)	2.44
"Methane has a significantly larger warming potential than carbon dioxide."	( Recent Advances Toward Transparent Methane Emissions Monitoring: A Review. Erland, BM; Gamon, JA; Thorpe, AK, 2022)	1.72
"Methane has been demonstrated to be a feasible substrate for electricity generation in microbial fuel cells (MFCs) and denitrifying anaerobic methane oxidation (DAMO). "	( Combining biological denitrification and electricity generation in methane-powered microbial fuel cells. Liu, S; Rensing, C; Yang, L; Yu, L; Zhang, E; Zhou, S, 2023)	2.59
"Methane has shown protective effects on a variety of diseases. "	( A narrative review of methane in treating neurological diseases. Fan, DF; Ye, ZH; Zhang, TY, )	1.89
"Methane has been demonstrated to function as a therapeutic agent in many diseases."	( Protective effects of methane-rich saline on mice with allergic asthma by inhibiting inflammatory response, oxidative stress and apoptosis. Lu, HT; Sun, XJ; Zhang, N; Zhang, RJ, )	1.17
"Methane emission has contributed greatly to the global warming and climate change, and the pollution of heavy metals is an important concern due to their toxicity and environmental persistence. "	( Heavy metal reduction coupled to methane oxidation：Mechanisms, recent advances and future perspectives. Dang, CC; Ding, J; Liu, BF; Ren, NQ; Xie, GJ; Xing, DF, 2021)	2.35
"Methane production has a positive correlation with the applied voltage, reaching 12.9 mL"	( Operationalization of a microbial electrolysis cell: The interaction of the primary factors for energy storage efficiency. Lie, TT; Pérez, D; Weber, CC, 2021)	1.34
"Methane has been associated with constipation-predominant irritable bowel syndrome, slowing intestinal transit time by augmenting contractile activity. "	( The effects and mechanism of action of methane on ileal motor function. Hussain, Z; Lee, YH; Lee, YJ; Park, H; Park, YM, 2017)	2.17
"Methane has been one of the key molecules in these investigations."	( Laboratory Studies of Methane and Its Relationship to Prebiotic Chemistry. Carrasco, N; Geppert, WD; Holm, NG; Kobayashi, K; Mousis, O; Palumbo, ME; Waite, JH; Watanabe, N; Ziurys, LM, 2017)	1.49
"Methane presence has a negligible impact on lignin conversion, but improves arene yield and BTEX selectivity."	( Maximizing the production of aromatic hydrocarbons from lignin conversion by coupling methane activation. Song, H; Wang, A, 2018)	1.43
"Methane has been reported to have anti-oxidative, anti-apoptotic and anti-inﬂammatory properties."	( Methane alleviates sepsis-induced injury by inhibiting pyroptosis and apoptosis: in vivo and in vitro experiments. Cui, R; Feng, Y; Jia, Y; Li, Z; Liu, C; Miao, R; Qu, K; Zhang, J; Zhang, X, 2019)	2.68
"Methane has been proposed as a promising electron donor to remove perchlorate from contaminated water, yet it is unclear whether and how microbial methane oxidation couples with perchlorate reduction, in particular under anoxic conditions."	( Perchlorate bio-reduction in a methane-based membrane biofilm reactor in the presence and absence of oxygen. Guo, J; Hu, S; Luo, JH; Wu, M; Yuan, Z, 2019)	1.52
"Methane production has been observed in a number of hypersaline environments, and it is generally thought that this methane is produced through the use of noncompetitive substrates, such as the methylamines, dimethylsulfide and methanol. "	( Trimethylamine and Organic Matter Additions Reverse Substrate Limitation Effects on the δ13C Values of Methane Produced in Hypersaline Microbial Mats. Beaudoin, CS; Bebout, BM; Detweiler, AM; Kelley, CA; Nicholson, BE, 2014)	2.06
"Methane gas (CH4) has been identified as an important alternative source of carbon and energy in some freshwater food webs. "	( Methane-derived carbon in the benthic food web in stream impoundments. Köpfer, D; Lorke, A; Maeck, A; Mbaka, JG; Schäfer, RB; Somlai, C, 2014)	3.29
"Methane production has been associated with chronic constipation (CC) and with changes in gut motility."	( Breath methane in functional constipation: response to treatment with Ispaghula husk. Abad, A; Andreu, V; Barenys, M; García Bayo, I; García, M; Martos, L; Perelló, A; Vega, AB, 2015)	1.59
"Methane has been suggested to exert a protective effect against intestinal I/R injury."	( Methane Attenuates Hepatic Ischemia/Reperfusion Injury in Rats Through Antiapoptotic, Anti-Inflammatory, and Antioxidative Actions. Chen, O; Fan, D; Gu, Z; Nakao, A; Sun, X; Tao, H; Ye, Z; Zhang, R; Zhang, T, 2015)	2.58
"Methane gas has been reported to be a new therapeutic gas for attenuating I/R injury."	( Methane-rich saline attenuates ischemia/reperfusion injury of abdominal skin flaps in rats via regulating apoptosis level. Hu, J; Liu, Y; Ma, X; Song, K; Wang, Y; Zhang, M, 2015)	2.58
"Methane in biogas has been proposed to be an electron donor to facilitate complete nitrogen removal using denitrifying anaerobic methane oxidizing (DAMO) microorganisms in an anaerobic ammonium oxidation (anammox) reactor, by reducing the nitrate produced. "	( Nitrate reduction by denitrifying anaerobic methane oxidizing microorganisms can reach a practically useful rate. Cai, C; Guo, J; Hu, S; Shi, Y; Xie, GJ; Yuan, Z, 2015)	2.12
"Methane also has a demonstrated anti-inflammatory potential."	( Inhaled Methane Limits the Mitochondrial Electron Transport Chain Dysfunction during Experimental Liver Ischemia-Reperfusion Injury. Boros, M; Cao, C; Hartmann, P; Kaszaki, J; Kaszonyi, E; Mészáros, A; Strifler, G; Szél, E; Tuboly, E, 2016)	1.59
"Methane has the potential of causing global warming 25 times more than CO2 Therefore, migration of landfill-gas from landfills to the surrounding environment can potentially affect human life and environment."	( Economic and environmental benefits of landfill gas utilisation in Oman. Abushammala, MF; Al-Mufragi, GA; Alrawahi, NA; Azam, MH; Mehmood, UA; Qazi, WA, 2016)	1.16
"Methane has been reported to play a protective role in ischemia-reperfusion injury via anti-oxidation, anti-inflammatory and anti-apoptotic activities. "	( Neuroprotective effects of methane-rich saline on experimental acute carbon monoxide toxicity. Cai, Z; Chen, Y; Fan, D; Gong, J; Liu, J; Liu, Y; Shen, M; Sun, X; Zang, Y; Zhu, K, 2016)	2.17
"Methane has 21 times more greenhouse gas potential than carbon dioxide. "	( Technical and economic evaluation of biogas capture and treatment for the Piedras Blancas landfill in Córdoba, Argentina. Francisca, FM; Glatstein, DA; Montoro, MA, 2017)	1.9
"Methane has been detected in the plume of Enceladus and may be biological in origin."	( The possible origin and persistence of life on Enceladus and detection of biomarkers in the plume. Altheide, T; Davis, WL; Kral, TA; McKay, CP; Porco, CC, 2008)	1.07
"Nitromethane has been shown to interfere with the determination of serum creatinine through the Jaffe reaction."	( Apparent elevated creatinine after ingestion of nitromethane: interference with the Jaffe reaction. Killorn, E; Lim, RK; Rieder, M, 2011)	1.07
"Nitromethane has wide industrial and commercial application as a polar solvent for adhesives and acrylics as well as explosive fuel. "	( Occupational allergic contact dermatitis to nitromethane. Fowler, JF; Webb, KG, 2002)	1.08
"Methane potentials have been measured for source-separated organic household waste and for individual waste materials."	( Method for determination of methane potentials of solid organic waste. Angelidaki, I; Christensen, TH; Hansen, TL; Jansen, Jl; Marca, E; Mosbaek, H; Schmidt, JE, 2004)	1.34
"Nitromethane has several properties that make it an interesting solvent for capillary electrophoresis especially for lipophilic analytes that are not sufficiently soluble in water: freezing and boiling points are suitable for laboratory conditions, low viscosity leads to favourable electrophoretic mobilities, or an intermediate dielectric constant enables dissolution of electrolytes. "	( Nitromethane as solvent in capillary electrophoresis. Kenndler, E; Porras, SP; Rosés, M; Subirats, X, 2005)	1.36
"Pure methane has a calorific value of 9100 kcal/m(3) at 15.5 degrees C and 1 atm; the calorific value of biogas varies from 4800 to 6900 kcal/m(3)."	( Application of polyimide membranes for biogas purification and enrichment. Chmielewski, AG; Harasimowicz, M; Orluk, P; Zakrzewska-Trznadel, G, 2007)	0.79
"Methane has long been known to be used as a carbon and energy source by some aerobic alpha- and delta-proteobacteria. "	( Methane as fuel for anaerobic microorganisms. Shima, S; Thauer, RK, 2008)	3.23
"The methane and nitrogen have been used as precursors for CNchi compound."	( Sliding properties of plasma assisted CVD CNchi coatings for metal bioimplants. Cerny, F; Gurovic, J; Hnatowicz, V; Konvickova, S; Kvasnicka, I; Suchanek, J, 2000)	0.79
"If methane has been photolyzed throughout Titan's history, then this runaway can only be avoided if the photolytic ethane is removed from the surface-atmosphere system."	( Analytic investigation of climate stability on Titan: sensitivity to volatile inventory. Lorenz, RD; Lunine, JI; McKay, CP, 1999)	0.82
"Methane has both biogenic and abiogenic sources, but concentrations exceeding 1000 ppm, or 0.1% by volume, would be difficult to produce from abiogenic sources alone."	( Synthetic spectra of simulated terrestrial atmospheres containing possible biomarker gases. Kasting, JF; Schindler, TL, 2000)	1.03

Actions

Methane bio-oxidation plays an important role in the global methane balance and greenhouse gases mitigation. Methane can inhibit contractile activity of proximal colonic longitudinal muscle by activating voltage dependent potassium channel and increasing IKV. The methane oxidation may increase by 41.04 mg/(m(2)h) under average water level of TGR (160m)

Excerpt	Reference	Relevance
"Methane bio-oxidation plays an important role in the global methane balance and greenhouse gases mitigation. "	( [Mechanism of hypoxia-tolerance and community structure of aerobic methanotrophs in O He, R; Ma, RC; Wei, XM, 2017)	1.9
"Methane can inhibit contractile activity of proximal colonic longitudinal muscle by activating voltage dependent potassium channel and increasing IKV."	( [Effects of methane on proximal colon motility of rats and ion channel mechanisms]. Liang, CB; Liu, Y; Luo, HS; Tan, W; Xia, H; Xu, WJ, 2013)	2.21
"The methane oxidation may increase by 41.04 mg/(m(2)h) under average water level of TGR (160 m), and most methane resulted from sediments can be oxidized in the water column."	( Methane formation and consumption processes in Xiangxi Bay of the Three Gorges Reservoir. Li, X; Li, Y; Peng, F; Wang, C; Xiao, S; Zhong, H, 2014)	2.33
"Methane bio-oxidation plays an important role in the global methane balance and warming mitigation, while copper has a crucial function in methane bio-oxidation. "	( [Copper in methane oxidation: a review]. He, R; Kong, JY; Su, Y; Xia, FF; Zhang, X, 2014)	2.23
"Methane formed at shallow depths has been oxidized at several hundred metres depth at the transition to a deep-seated sulphate-rich saline water."	( Extreme (13)C depletion of carbonates formed during oxidation of biogenic methane in fractured granite. Åström, J; Åström, ME; Broman, C; Drake, H; Heim, C; Ivarsson, M; Siljeström, S; Sjövall, P; Whitehouse, M, 2015)	1.37
"The methane increase could be explained by a raise of Methanosarcinaceae population in presence of a total contact between solid and liquid phases."	( Methane production improvement by modulation of solid phase immersion in dry batch anaerobic digestion process: Dynamic of methanogen populations. André, L; Lamy, E; Lespinard, O; Ndiaye, M; Pauss, A; Pernier, M; Ribeiro, T, 2016)	2.36
"Methanethiol did inhibit AOM and can therefore not be excluded as IEC by this study."	( Effect of methanogenic substrates on anaerobic oxidation of methane and sulfate reduction by an anaerobic methanotrophic enrichment. Jagersma, CG; Khadem, AF; Lens, PN; Meulepas, RJ; Stams, AJ, 2010)	1.32
"Methane controls produce ozone reductions that are widespread globally and are realized gradually (approximately 12 yr)."	( Management of tropospheric ozone by reducing methane emissions. Fiore, AM; West, JJ, 2005)	1.31
"Nitromethane can cause a false elevation of serum creatinine concentration as measured by the widely used Jaffe colorimetric method."	( Creatinine elevation associated with nitromethane exposure: a marker of potential methanol toxicity. Clark, RF; Cook, MD, 2007)	1.06

Treatment

Methane treatment resulted in significantly higher renal blood flow during the extracorporeal circulation period compared to the non-treated group. Methane treatment protected the rat brain from the harmful effects induced by CO exposure and improved the outcome of DNS.

Excerpt	Reference	Relevance
"Methane treatment significantly improved the RGC loss and visual dysfunction following ONC."	( Methane rescues retinal ganglion cells and limits retinal mitochondrial dysfunction following optic nerve crush. Chen, Z; Liu, L; Sun, Q; Wang, R; Wu, J; Xia, F; Xu, J; Zhang, Y, 2017)	2.62
"Methane treatment resulted in significantly higher renal blood flow during the extracorporeal circulation period compared to the non-treated group (63.9 ± 16.4 vs 29.0 ± 9.3 ml/min). "	( Methane inhalation reduces the systemic inflammatory response in a large animal model of extracorporeal circulation. Bari, G; Bogáts, G; Boros, M; Érces, D; Szűcs, S; Varga, G; Varga, Z, 2019)	3.4
"Methane yield of untreated and pretreated material was 70±27 and 320±36L/kg-VS/Day, respectively, or 4.5 times higher yield as a result of the pretreatment."	( Making lignin accessible for anaerobic digestion by wet-explosion pretreatment. Ahamed, A; Ahring, BK; Biswas, R; Teller, PJ; Uellendahl, H, 2015)	1.14
"Methane treatment protected the rat brain from the harmful effects induced by CO exposure and improved the outcome of DNS through anti-oxidant, anti-inflammatory and anti-apoptosis activities."	( Neuroprotective effects of exogenous methane in a rat model of acute carbon monoxide poisoning. Fan, DF; Hu, HJ; Lv, Y; Pan, SY; Sun, Q; Sun, XJ; Ye, ZH, 2016)	1.43

Toxicity

Mnitol use is as safe as NaP, and gas exchange was efficient in reducing methane concentrations. Study aimed to assess toxicity of fish wastewater with different salinities on the biomethanation process.

Excerpt	Reference	Relevance
" The results of these studies confirmed that Magic Methyl is markedly toxic by all routes studied and particularly by the inhalation route since the LC50 value for rats was found to be between 5 and 6 ppm."	( Acute toxicity of methyl fluorosulfonate (Magic Methyl). Braun, W; Hite, M; Peck, H; Rinehart, W, 1979)	0.26
"A major toxicological issue today is the possibility of unusual toxicity due to interaction of toxic chemicals upon environmental or occupational exposures to two or more chemicals, at ordinarily harmless levels individually."	( Potentiation of halomethane hepatotoxicity by chlordecone: a hypothesis for the mechanism. Mehendale, HM, 1990)	0.6
" Significantly diminished formate oxidation by cells exposed to either CR or TCE without acetylene compared with that with acetylene suggests that the solvents themselves were not toxic under the experimental conditions but their transformation products were."	( Product toxicity and cometabolic competitive inhibition modeling of chloroform and trichloroethylene transformation by methanotrophic resting cells. Alvarez-Cohen, L; McCarty, PL, 1991)	0.28
" TCE was found to be toxic for the cells, and this phenomenon was studied in detail."	( Kinetics of chlorinated hydrocarbon degradation by Methylosinus trichosporium OB3b and toxicity of trichloroethylene. Janssen, DB; Oedzes, JY; Oldenhuis, R; van der Waarde, JJ, 1991)	0.28
"Why is a low dose of toxic chemical nontoxic? What makes a larger dose of the same chemical toxic? Extensive work done to understand the mechanism of halomethane hepatotoxicity and its potentiation by chlorinated insecticide, chlordecone has resulted in the understanding of these basic tenets of toxicology."	( Halomethane-chlordecone (CD) interactive hepatotoxicity--current concepts on the mechanism. Mehendale, HM; Rao, SB, 1993)	1.04
" Unacclimated cultures were used to minimize the biotransformation of the toxic organic chemicals during the test."	( Toxicity of N-substituted aromatics to acetoclastic methanogenic activity in granular sludge. Donlon, BA; Field, JA; Lettinga, G; Razo-Flores, E, 1995)	0.29
"In this study we evaluated specific and nonspecific toxic effects of aeration and trichloroethylene (TCE) oxidation on methanotrophic bacteria grown with different nitrogen sources (nitrate, ammonia, and molecular nitrogen)."	( Evaluation of toxic effects of aeration and trichloroethylene oxidation on methanotrophic bacteria grown with different nitrogen sources. Alvarez-Cohen, L; Chu, KH, 1999)	0.3
" Furthermore, formaldehyde was found to be toxic to acetoclastic methanogenesis in a dual character."	( Conversion and toxicity characteristics of formaldehyde in acetoclastic methanogenic sludge. Gonzalez-Gil, G; Kleerebezem, R; Lettinga, G, 2002)	0.31
" These results are similar to the toxic effects of long chain fatty acids on sludge digestion, suggesting that DEHP or its degradation products affect all the microbial populations in the anaerobic bioreactor."	( Toxicity of di-(2-ethylhexyl) phthalate on the anaerobic digestion of wastewater sludge. Ahring, BK; Alatriste-Mondragon, F; Iranpour, R, 2003)	0.32
" We investigated adverse effects of single-wall carbon nanotubes (SWCNT) using a cell culture of immortalized human epidermal keratinocytes (HaCaT)."	( Exposure to carbon nanotube material: assessment of nanotube cytotoxicity using human keratinocyte cells. Baron, P; Castranova, V; Gandelsman, VZ; Kisin, ER; Maynard, A; Murray, AR; Schwegler-Berry, D; Shvedova, AA, 2003)	0.32
" These results show that, for the test conditions described here and on an equal-weight basis, if carbon nanotubes reach the lungs, they are much more toxic than carbon black and can be more toxic than quartz, which is considered a serious occupational health hazard in chronic inhalation exposures."	( Pulmonary toxicity of single-wall carbon nanotubes in mice 7 and 90 days after intratracheal instillation. Hunter, RL; James, JT; Lam, CW; McCluskey, R, 2004)	0.32
" Pulmonary exposures to carbonyl iron or graphite particles produced no significant adverse effects."	( Comparative pulmonary toxicity assessment of single-wall carbon nanotubes in rats. Laurence, BR; Reed, KL; Reynolds, GA; Roach, DH; Warheit, DB; Webb, TR, 2004)	0.32
" Decolorization of the two anthraquinone dyes was investigated to evaluate the rate and extent of color removal as well as to assess possible toxic effects of the dyes and their decolorization product(s) on the methanogenic culture as a function of initial dye concentration ranging from 50 to 300 mg x L(-1)."	( Decolorization and toxicity of reactive anthraquinone textile dyes under methanogenic conditions. Lee, YH; Pavlostathis, SG, 2004)	0.32
" coli W3110 to NO(3)-infused sheep lessened ruminal and plasma toxic NO(2) accumulation and blood methaemoglobin production, while keeping ruminal methanogenesis low."	( Effect of ruminal administration of Escherichia coli wild type or a genetically modified strain with enhanced high nitrite reductase activity on methane emission and nitrate toxicity in nitrate-infused sheep. Asakura, Y; Isogai, N; Kuwaki, K; Morikawa, R; Mwenya, B; Pen, B; Sar, C; Shinzato, I; Takahashi, J; Takaura, K; Toride, Y; Tsujimoto, A, 2005)	0.53
" Comparative toxicity studies in which mice were given equal weights of test materials showed that SWCNTs were more toxic than quartz, which is considered a serious occupational health hazard if it is chronically inhaled; ultrafine carbon black was shown to produce minimal lung responses."	( A review of carbon nanotube toxicity and assessment of potential occupational and environmental health risks. Arepalli, S; Hunter, RL; James, JT; Lam, CW; McCluskey, R, 2006)	0.33
" Our work clearly indicated that these materials are toxic while the hazardous effect is size-dependent."	( Cellular toxicity of carbon-based nanomaterials. Catsicas, S; Celio, M; Forró, L; Kasas, S; Magrez, A; Pasquier, N; Salicio, V; Schwaller, B; Seo, JW, 2006)	0.33
" Comparing with terminal electron-accepting processes (TEAPs), however, research on fermentation processes has to some extent been ignored in the past decades, particularly on the persistence of fermentation process in the presence of toxic organic pollutants."	( Persistence of fermentative process to phenolic toxicity in groundwater. Banwart, SA; Lerner, DN; Pickup, RW; Thornton, SF; Wu, Y, )	0.13
" The degradation products of the nanocomposites displayed a dose-dependent adverse effect on cells, which was partially due to increased osmolarity by the conditions of accelerated degradation and could be overcome at diluted concentrations."	( In vitro cytotoxicity of single-walled carbon nanotube/biodegradable polymer nanocomposites. Hudson, JL; Mikos, AG; Pham, QP; Raphael, RM; Shi, X; Sitharaman, B; Spicer, PP; Tour, JM; Wilson, LJ, 2008)	0.35
" Therefore, if pristine C60 is absolutely nontoxic under dark conditions, this is not the case under UV-Visible irradiation and in the presence of O2 where ffullerene solutions can be highly toxic through 1O2 formation."	( Toxicity studies of fullerenes and derivatives. Kolosnjaj, J; Moussa, F; Szwarc, H, 2007)	0.34
"Different types of carbon nanotubes may represent toxic hazards due to their size distribution and massive surface area."	( Lack of genotoxicity of carbon nanotubes in a pilot study. Szendi, K; Varga, C, )	0.13
" The results presented demonstrate that single walled carbon nanotubes can induce an indirect cytotoxicity by alteration of cell culture medium (in which they have previously been dispersed) which potentially results in a false positive toxic effect being observed in cytotoxicity studies."	( Single walled carbon nanotubes induce indirect cytotoxicity by medium depletion in A549 lung cells. Byrne, HJ; Casey, A; Chambers, G; Davoren, M; Herzog, E; Lyng, FM, 2008)	0.35
"Carbon nanotubes (CNT) have been reported to elicit toxic responses in vitro and in vivo, ascribed so far to metal contamination, CNT length, degree of oxidation, or extent of hydrophilicity."	( Structural defects play a major role in the acute lung toxicity of multiwall carbon nanotubes: physicochemical aspects. Béguin, F; Fenoglio, I; Fonseca, A; Fubini, B; Greco, G; Lison, D; Muller, J; Nagy, JB; Raymundo-Piñero, E; Tomatis, M, 2008)	0.35
"Experimental studies indicate that carbon nanotubes (CNTs) have the potential to induce adverse pulmonary effects, including alveolitis, fibrosis, and genotoxicity in epithelial cells."	( Structural defects play a major role in the acute lung toxicity of multiwall carbon nanotubes: toxicological aspects. Béguin, F; Delos, M; Fenoglio, I; Fonseca, A; Fubini, B; Huaux, F; Kirsch-Volders, M; Lison, D; Moreau, N; Muller, J; Nagy, JB; Raymundo-Piñero, E, 2008)	0.35
" Moreover, the role of particle properties in the toxic reaction remains to be fully understood."	( Comparative study of cytotoxicity, oxidative stress and genotoxicity induced by four typical nanomaterials: the role of particle size, shape and composition. Liu, C; Xi, Z; Yang, D; Yang, H; Zhang, H, 2009)	0.35
" In our conditions, carbon nanotubes were more toxic than metal oxide nanoparticles."	( In vitro investigation of oxide nanoparticle and carbon nanotube toxicity and intracellular accumulation in A549 human pneumocytes. Carrière, M; Gouget, B; Herlin-Boime, N; Mayne-L'hermite, M; Reynaud, C; Simon-Deckers, A, 2008)	0.35
"The aim of this study was to evaluate adverse effects of multiwalled carbon nanotubes (MWCNT), produced for industrial purposes, on the human epithelial cell line A549."	( Adverse effects of industrial multiwalled carbon nanotubes on human pulmonary cells. Amara, N; Boczkowski, J; Bussy, C; Grodet, A; Lanone, S; Pairon, JC; Rossi, MJ; Setyan, A; Tabet, L, 2009)	0.35
" However, concerns over adverse and unanticipated effects on human health have also been raised."	( Mechanisms of pulmonary toxicity and medical applications of carbon nanotubes: Two faces of Janus? Castranova, V; Fadeel, B; Kagan, VE; Kisin, ER; Porter, D; Schulte, P; Shvedova, AA, 2009)	0.35
" We hypothesize that SWCNT may be toxic to the skin."	( Oxidative stress and inflammatory response in dermal toxicity of single-walled carbon nanotubes. Castranova, V; Kagan, VE; Kisin, E; Kommineni, C; Leonard, SS; Murray, AR; Shvedova, AA; Young, SH, 2009)	0.35
"With prolonged cultures, loss of cell viability was minimal for preparations with 99% purity, but significant adverse effects were detected with 97% purity and with acid-treated preparations."	( Influence of purity and surface oxidation on cytotoxicity of multiwalled carbon nanotubes with human neuroblastoma cells. Cuschieri, A; Raffa, V; Vittorio, O, 2009)	0.35
" The findings of current in vitro studies now suggest that bactericidal concentrations of SCC1 are not toxic to airway epithelial cells in primary culture."	( In vitro and murine efficacy and toxicity studies of nebulized SCC1, a methylated caffeine-silver(I) complex, for treatment of pulmonary infections. Brody, SL; Cannon, CL; Capps, GH; Hindi, KM; Hogue, LA; Ibricevic, A; Kascatan-Nebioglu, A; Vajravelu, RK; Walter, MJ; Youngs, WJ, 2009)	0.35
" To further illustrate the potential of Raman spectroscopy in this field, Partial Least Squares (PLS) regression and genetic algorithm feature selection have been utilised to demonstrate that clonogenic endpoints, and therefore toxic response, can be potentially predicted from spectra of cells exposed to un-determined doses, removing the need for costly and time consuming biochemical assays."	( Raman spectroscopy--a potential platform for the rapid measurement of carbon nanotube-induced cytotoxicity. Byrne, HJ; Clarke, C; Davoren, M; Herzog, E; Knief, P; Lyng, FM; Meade, AD, 2009)	0.35
" Because of their unique properties, nanotubes can impose potentially toxic effects, particularly if they have been modified to express functionally reactive chemical groups on their surface."	( Influence of acid functionalization on the cardiopulmonary toxicity of carbon nanotubes and carbon black particles in mice. Devlin, RB; Gilmour, MI; Kodavanti, UP; McGee, JK; Saxena, RK; Tong, H, 2009)	0.35
" However, studies pointed out that carbon nanotube-induced lung inflammation results in a release of inflammatory mediators and activation of blood cells which can contribute to cardiovascular adverse effects."	( Engineered nanoparticle respiratory exposure and potential risks for cardiovascular toxicity: predictive tests and biomarkers. Erdely, A; Simeonova, PP, 2009)	0.35
"The unique properties of carbon nanotubes (CNTs) have been explored for their use in biomedical sciences and in biotechnological fields; however, their possible toxic effects are of concern."	( Cytotoxicity of carboxylic acid functionalized single wall carbon nanotubes on the human intestinal cell line Caco-2. Cameán, AM; Grilo, A; Jos, A; Pichardo, S; Puerto, M; Sánchez, E, 2009)	0.35
" Hence, the etiopathological sequence of inflammatory events caused by this type of MWCNT appears to be related to the high displacement volume of the low-density MWCNT assemblage structure rather than to any yet ill-defined intrinsic toxic property."	( Subchronic 13-week inhalation exposure of rats to multiwalled carbon nanotubes: toxic effects are determined by density of agglomerate structures, not fibrillar structures. Pauluhn, J, 2010)	0.36
" No genotoxicity was evidenced in erythrocytes of larvae exposed to DWNTs, except to 1 mg L(-1) of DWNTs with GA suggesting its potential effect in association with DWNTs at the first nonacutely toxic concentration."	( International amphibian micronucleus standardized procedure (ISO 21427-1) for in vivo evaluation of double-walled carbon nanotubes toxicity and genotoxicity in water. Datsyuk, V; Flahaut, E; Gauthier, L; Landois, P; Mouchet, F; Pinelli, E; Puech, P, 2011)	0.37
" The results showed that the MBR was not very efficient because of the considerable fluctuations in the domestic wastewater composition and the presence of toxic compounds resulting from the industrial effluents in the Sfax region."	( Effects of domestic wastewater toxicity on anaerobic membrane-bioreactor (MBR) performances. Abdelkafi, S; Saddoud, A; Sayadi, S, 2009)	0.35
"2% are found to be toxic for Jurkat andPANC1 cells."	( Dispersion state and toxicity of mwCNTs in cell culture medium with different T80 concentrations. Beskok, A; Kalluri, BS; Qian, S; Sabuncu, AC; Stacey, MW, 2010)	0.36
" Specifically, we investigated (i) the impact of SWNT concentration on cell growth and biofilm formation, (ii) toxic effects of SWNTs on mature biofilms, and (iii) formation of biofilm on SWNT-coated surfaces."	( Toxic effects of single-walled carbon nanotubes in the development of E. coli biofilm. Elimelech, M; Rodrigues, DF, 2010)	0.36
") determine nickel bio-uptake and its toxic effect."	( Effect of sorption kinetics on nickel toxicity in methanogenic granular sludge. Bartacek, J; Catena, AB; Fermoso, FG; Lens, PN, 2010)	0.36
" It was found to be toxic and induced massive loss of cell viability through DNA damage and programmed cell-death of all doses compared to control."	( Multi-walled carbon nanotubes induce cytotoxicity, genotoxicity and apoptosis in normal human dermal fibroblast cells. Knighten, B; Patlolla, A; Tchounwou, P, 2010)	0.36
" Thus, to evaluate the toxic potential of CNTs in relation to their aspect ratio and metal contamination, in vivo and in vitro genotoxicity tests were conducted using high-aspect-ratio (diameter: 10-15 nm, length: ~10 μm) and low-aspect-ratio multi-wall carbon nanotubes (MWCNTs, diameter: 10-15 nm, length: ~150 nm) according to OECD test guidelines 471 (bacterial reverse mutation test), 473 (in vitro chromosome aberration test), and 474 (in vivo micronuclei test) with a good laboratory practice system."	( Aspect ratio has no effect on genotoxicity of multi-wall carbon nanotubes. Cho, HS; Choi, KH; Kang, CS; Kim, JS; Kim, KH; Lee, K; Lee, SH; Lee, YH; Song, KS; Yu, IJ, 2011)	0.37
" Studies show that CNTs are toxic and that the extent of that toxicity depends on properties of the CNTs, such as their structure (single wall or multiple wall), length and aspects ratios, surface area, degree of aggregation, extent of oxidation, bound functional group(s), method of manufacturing, concentration, and dose."	( Pulmonary toxicity of carbon nanotubes: a systematic report. Gajbhiye, V; Jain, NK; Kayat, J; Tekade, RK, 2011)	0.37
" Among the HNPs of different sizes, 50-nm HNPs demonstrated the highest toxic influence on macrophages."	( Cellular uptake, cytotoxicity, and innate immune response of silica-titania hollow nanoparticles based on size and surface functionality. Cho, BR; Choi, M; Hahn, JS; Jang, J; Jeong, YS; Kim, C; Kim, S; Oh, WK, 2010)	0.36
"Given that so-DWNTs are consistently significantly more toxic than st-DWNTs, dispersion method and size of aggregations should be considered in DWNT toxicity testing."	( Chronic toxicity of double-walled carbon nanotubes to three marine organisms: influence of different dispersion methods. Cheng, J; Cheng, SH; Flahaut, E; Kwok, KW; Leung, KM, 2010)	0.36
" Of particular importance, is the contribution of the fibre paradigm to CNT toxicity, whereby the length of CNTs appears to be critical to their toxic potential."	( A critical review of the biological mechanisms underlying the in vivo and in vitro toxicity of carbon nanotubes: The contribution of physico-chemical characteristics. Aschberger, K; Christensen, FM; Hankin, S; Hutchison, GR; Johnston, HJ; Peters, S; Stone, V, 2010)	0.36
" In this regard, we have attempted to elucidate the pharmacodynamics and safety of nanomaterials in order to develop novel, safe nanomaterials and to establish scientifically based regulations."	( [Nano-safety science for assuring the safety of nanomaterials]. Tsutsumi, Y; Yoshikawa, T; Yoshioka, Y, 2010)	0.36
"Carbon nanotubes (CNT) possess beneficial physicochemical and mechanical properties; however, despite these advantages there are concerns regarding the adverse effects of CNT on lung and development of diseases, such as lung cancer and mesothelioma."	( Determination of cytotoxicity attributed to multiwall carbon nanotubes (MWCNT) in normal human embryonic lung cell (WI-38) line. Joo, HJ; Kim, JS; Lee, JH; Song, KS; Yu, IJ, 2010)	0.36
"Carbon nanotubes (CNT) are known to have widespread industrial applications; however, several reports indicated that these compounds may be associated with adverse effects in humans."	( Toxicity and clearance of intratracheally administered multiwalled carbon nanotubes from murine lung. Ahn, KH; Baek, J; Beck, GR; Chae, CH; Cho, MH; Choi, M; Ha, YC; Jeong, DH; Kim, JE; Kwon, JT; Lee, JH; Lim, HT; Minai-Tehrani, A; Shin, JY; Song, KS; Sung, HJ; Woo, CG; Yu, IJ, 2010)	0.36
"The increasing use of carbon nanotubes (CNTs) in biomedical applications underlines the importance of its potential toxic effects to human health."	( Cytotoxicity of single-walled carbon nanotubes on PC12 cells. An, L; Bao, Y; Liu, J; Sun, P; Wang, J, 2011)	0.37
" ACE, MDA, GSH, TSH and histopathological changes showed that tau-MWNTs were less toxic than the raw MWNTs."	( Pulmonary toxicity in mice exposed to low and medium doses of water-soluble multi-walled carbon nanotubes. Deng, XY; Gu, YQ; Jia, G; Liu, ZH; Nie, H; Wang, H; Wang, TC; Wang, X; Zang, JJ, 2010)	0.36
" Is it possible to create safe nanomaterials if such a number of complicated factors need to be regulated? We herein try to find answers to this important question."	( Low-toxic and safe nanomaterials by surface-chemical design, carbon nanotubes, fullerenes, metallofullerenes, and graphenes. Hu, Z; Li, S; Yan, L; Zhao, F; Zhao, Y, 2011)	0.37
" The review also focuses on the toxicity aspects of CNTs, and revealed that genotoxic potential, mutagenic and carcinogenic effects of different types of CNTs must be explored and overcome by formulating safe biomaterial for drug delivery."	( Advancement in carbon nanotubes: basics, biomedical applications and toxicity. Anwer, K; Beg, S; Hasnain, MS; Kohli, K; Rizwan, M; Sheikh, AM, 2011)	0.37
"Although the potential risk of carbon nanotubes (CNTs) to humans has recently increased due to expanding production and widespread use, the potential adverse effects of CNTs on embryo-fetal development have not yet been determined."	( Maternal exposure to multi-wall carbon nanotubes does not induce embryo-fetal developmental toxicity in rats. Kang, SS; Kim, JC; Kim, SH; Lim, JH; Moon, C; Park, NH; Park, SC; Shin, IS, 2011)	0.37
"carbon nanotubes (CNT) can have adverse effects on health."	( Coating carbon nanotubes with a polystyrene-based polymer protects against pulmonary toxicity. Boczkowski, J; Bussy, C; Lanone, S; Rossi, MJ; Setyan, A; Simon-Deckers, A; Tabet, L, 2011)	0.37
" In this regard, we have attempted to elucidate the pharmacodynamics and immunotoxicity of nanomaterials, in order to develop novel safe nanomaterials and to establish scientifically based regulations."	( [Nanosafety studies of nanomaterials about biodistribution and immunotoxicity]. Yoshioka, Y, 2011)	0.37
" However, despite the increasing industrial use of carbon nanofibers, information on their potential adverse health effects is limited."	( Genotoxicity of carbon nanofibers: are they potentially more or less dangerous than carbon nanotubes or asbestos? Castranova, V; Chirila, M; Fadeel, B; Kagan, VE; Kisin, ER; Leonard, S; Lowry, D; Murray, AR; Sargent, L; Schwegler-Berry, D; Shvedova, AA; Siegrist, KJ, 2011)	0.37
" This study was designed to determine the influences of acid functionalization on SWCNT toxicity and to understand the molecular toxic mechanisms."	( In vitro toxicity of acid-functionalized single-walled carbon nanotubes: effects on murine macrophages and gene expression profiling. Dong, PX; Guo, LH; Wan, B, 2012)	0.38
" Thus, the vascular endothelium can be in contact with them and can suffer from their toxic effects."	( Influence of carboxylic acid functionalization on the cytotoxic effects induced by single wall carbon nanotubes on human endothelial cells (HUVEC). Cameán, AM; Grilo, A; Gutiérrez-Praena, D; Jos, A; Pichardo, S; Sánchez, E, 2011)	0.37
" However, additional purification work demonstrated that the toxic material in the carboxylated SWNT preparations could be separated from the SWNTs by filtration."	( Cytotoxicity screening of single-walled carbon nanotubes: detection and removal of cytotoxic contaminants from carboxylated carbon nanotubes. Bushdiecker, D; Draper, RK; Li, S; Mikoryak, C; Musselman, IH; Pantano, P; Wang, R, 2011)	0.37
" Therefore carbon nanotubes might display toxic effects and the extent of the toxicity is more specifically directed to lung and pleura."	( Carbon nanotubes and pleural damage: perspectives of nanosafety in the light of asbestos experience. Stella, GM, 2011)	0.37
" This has led to increased concerns about the potential adverse health effects that may be associated with human exposure to CNTs, predominantly because of to their size, their shape, and chemistry."	( A brief summary of carbon nanotubes science and technology: a health and safety perspective. Clift, MJ; Rösslein, M; Rothen-Rutishauser, B; Wick, P, 2011)	0.37
" By using a recently developed technique of a two step in vivo biotinylation of erythrocytes that enables simultaneous enumeration of young (age <10 days) and old (age>40 days) erythrocytes in mouse blood, it was found that the in vivo toxic effect of AF-SWCNTs was more pronounced on older subpopulation of erythrocytes."	( Cytotoxic effect of poly-dispersed single walled carbon nanotubes on erythrocytes in vitro and in vivo. Sachar, S; Saxena, RK, 2011)	0.37
" In addition, it was shown that Au(I) treatment generally caused more adverse effects than Ru(II) treatment in a dose-dependent manner."	( Evaluation of reproductive toxicity in male rats treated with novel synthesized ruthenium(II) and gold(I)-NHC complexes. Beytur, A; Ciftci, O; Ozdemir, I; Vardi, N, 2012)	0.38
" This study investigates a range of alternative carbon sources and determines rates, mechanisms and factors controlling NO(3)(-) removal, denitrifying bacterial community, and the adverse effects of these substrates."	( Nitrate removal, communities of denitrifiers and adverse effects in different carbon substrates for use in denitrification beds. Bruesewitz, DA; Cameron, S; Matiasek, MG; McDonald, IR; Schipper, LA; Scow, KM; Warneke, S, 2011)	0.37
" These findings have shed light toward the design of safe carbon nanotube nanomaterials by comprehensive preconsideration of their interactions with human serum proteins."	( Binding of blood proteins to carbon nanotubes reduces cytotoxicity. Chai, Z; Chen, C; Du, J; Ge, C; Li, D; Liu, Y; Wang, L; Yang, Y; Zhao, L; Zhao, Y; Zhou, R, 2011)	0.37
" Conversely, acid-oxidized carboxylated CNTs with shorter lengths, hydrophilic surfaces, and high aqueous dispersibility proved to be less toxic and more biocompatible than their pristine counterparts."	( Toxicity of multiwalled carbon nanotubes with end defects critically depends on their functionalization density. Chuttani, K; Das, M; Godugu, C; Jain, AK; Jain, S; Mathur, R; Mishra, AK; Thakare, VS, 2011)	0.37
" These factors include the extent of NP characterization necessary (or possible) before, during, and after toxicity tests such that toxic effects can be related to physicochemical characteristics of NPs; determining uptake and distribution of NPs within exposed organisms (does uptake occur or are effects exerted at organism surfaces?); and determining the appropriate types of controls to incorporate into ecotoxicity tests with NPs."	( Methodological considerations for testing the ecotoxicity of carbon nanotubes and fullerenes: review. Henry, TB; Petersen, EJ, 2012)	0.38
" Our results indicated that p- and o-SWNTs were not toxic in the 3D cellular model following a 24 h exposure."	( Screening the cytotoxicity of single-walled carbon nanotubes using novel 3D tissue-mimetic models. Bazou, D; Giordani, S; Movia, D; Prina-Mello, A; Volkov, Y, 2011)	0.37
" However, it is now known that the toxic behavior of NPs differ from their bulk counterparts."	( Evaluating the toxicity of selected types of nanochemicals. Guleria, P; Kumar, V; Kumari, A; Yadav, SK, 2012)	0.38
" However, thin MWCNTs appeared significantly more toxic than the thicker ones, both in vitro and in vivo, when compared on a mass-dose basis."	( Thickness of multiwalled carbon nanotubes affects their lung toxicity. Aldieri, E; Attanasio, A; Cesano, F; Colonna, M; Fenoglio, I; Fubini, B; Gazzano, E; Lison, D; Mazzucco, G; Scarano, D; Yakoub, Y, 2012)	0.38
"The increasing use of nanomaterials in consumer products highlights the importance of understanding their potential toxic effects."	( Multi-walled carbon nanotubes induce cytotoxicity and genotoxicity in human lung epithelial cells. Bellucci, S; Buresti, G; Casciardi, S; Cavallo, D; Ciervo, A; Fanizza, C; Fresegna, AM; Iavicoli, S; Maiello, R; Marcelloni, AM; Paba, E; Tombolini, F; Ursini, CL, 2012)	0.38
" However, little is known about the role of p21 and hus1 gene in the toxic response of SWNT and MWNT to mammalian cells."	( Toxicity of carbon nanotubes to p21 and hus1 gene deficient mammalian cells. Chu, PK; Hang, H; Tong, L; Xu, A; Yu, Z; Zhang, W, 2011)	0.37
" While the toxicity and hazardous outcomes elicited by airborne exposure to single-walled CNT or asbestos have been widely reported, very limited data are currently available describing adverse effects of respirable CNF."	( Factoring-in agglomeration of carbon nanotubes and nanofibers for better prediction of their toxicity versus asbestos. Fadeel, B; Kagan, VE; Kisin, ER; Mercer, R; Murray, AR; Shvedova, AA; Tkach, AV; Yanamala, N; Young, SH, 2012)	0.38
" However, the increasing use of engineered nanomaterials also raises concerns about inadvertent exposure to these materials and the potential for adverse effects on human health and the environment."	( Mechanisms of carbon nanotube-induced toxicity: focus on oxidative stress. Fadeel, B; Kagan, VE; Pietroiusti, A; Shvedova, AA, 2012)	0.38
"In recent years, many engineered nanomaterials (NMs) have been produced, but increasing research has revealed that these may have toxicities far greater than conventional materials and cause significant adverse health effects."	( Risk management strategy to increase the safety of workers in the nanomaterials industry. Chueh, MJ; Huang, YS; Lin, WC; Ling, MP; Liu, CC; Shih, TS, 2012)	0.38
" Results demonstrate that smaller size of MWCNT seems to be more toxic than that of larger one."	( In vitro toxicity of multi-walled carbon nanotubes in C6 rat glioma cells. Han, YG; Li, ZG; Ren, GG; Xu, J; Yang, Z, 2012)	0.38
"Carboxylic acid functionalized water soluble carbon nanotube (wsCNT) shows no toxic effect against the growth of Escherichia-coli (E."	( Non-toxicity of water soluble multi-walled carbon nanotube on Escherichia-coli colonies. Roy, M; Sarkar, S; Saxena, M; Sonkar, SK; Tripathi, S, 2012)	0.38
"Concurrent with the increasing production and application of carbon nanotubes (CNTs) comes an increasing likelihood of CNTs presenting in the aquatic environment, and thereby potentially threatening aquatic organisms via toxic mechanisms that are, at present, poorly understood."	( Systematic and quantitative investigation of the mechanism of carbon nanotubes' toxicity toward algae. Ji, J; Lin, D; Long, Z; Wu, F; Yang, K, 2012)	0.38
" Our findings establish for the first time that mast cells and the IL-33/ST2 axis orchestrates adverse pulmonary and cardiovascular responses to an engineered nanomaterial, giving insight into a previously unknown mechanism of toxicity."	( A carbon nanotube toxicity paradigm driven by mast cells and the IL-₃₃/ST₂ axis. Brown, JM; Fick, RB; Hilderbrand, SC; Katwa, P; Ke, PC; Podila, R; Rao, AM; Urankar, RN; Wang, X; Wingard, CJ, 2012)	0.38
" Compared with single-walled carbon nanotubes, C70(C(COOH)2)4-8 exerted more serious adverse effects on BY-2 cells."	( Comparative cytotoxicity study of water-soluble carbon nanoparticles on plant cells. Dang, S; Fang, X; He, K; Liu, Q; Wang, C; Zhang, X, 2012)	0.38
" Although inhalation is the most common pathway of exposure, reports on the toxic effects induced by HMs in human lung are contradictory."	( Halomethane-induced cytotoxicity and cell proliferation in human lung MRC-5 fibroblasts and NL20-TA epithelial cells. Domínguez-López, ML; García-Latorre, EA; Nájera-Martínez, M; Reyes-Maldonado, E; Vega-López, A, 2012)	0.94
"The use of carbon nanotubes (CNTs) could improve medical diagnosis and treatment provided they show no adverse effects in the organism."	( Combination of small size and carboxyl functionalisation causes cytotoxicity of short carbon nanotubes. Fröhlich, E; Höfler, A; Leitinger, G; Meindl, C; Roblegg, E, 2013)	0.39
" These findings provide useful insights for de novo design and safe application of carbon nanotubes and their risk assessment to human health."	( Understanding the toxicity of carbon nanotubes. Chen, C; Liu, Y; Sun, B; Zhao, Y, 2013)	0.39
" Therefore, MWCNTs from manufactured and combustion sources in the environment can have adverse effects on human health."	( Multi walled carbon nano tubes induced hepatotoxicity in Swiss albino mice. Awasthi, A; Awasthi, K; Awasthi, KK; John, PJ, 2013)	0.39
" However, the possibility that poloxamer degradation products are toxic to mammalian cells has not been well studied."	( Generation of toxic degradation products by sonication of Pluronic® dispersants: implications for nanotoxicity testing. Beck, S; Draper, RK; Hughes, T; Li, S; Pantano, P; Vakil, S; Wang, R, 2013)	0.39
" A higher proportion of samples was classified as toxic to mussels (63% for rainbow mussels, 50% for wavy-rayed lampmussels) compared with amphipods (38%) or midge (38%)."	( Toxicity of sediments potentially contaminated by coal mining and natural gas extraction to unionid mussels and commonly tested benthic invertebrates. Alexander, S; Bakaletz, S; Brumbaugh, WG; Evans, RB; Ingersoll, CG; Kane, CM; Kunz, JL; Walker, C; Wang, N, 2013)	0.39
" On the other hands, the safety of NMs has not been well assessed, because NMs have been considered as safe as common larger sized materials which are known not to be absorbed by the body."	( [Safety assessment of nanomaterials for development of nano-cosmetics]. Tsutsumi, Y; Yoshida, T; Yoshioka, Y, 2012)	0.38
"Carbon nanotubes (CNTs) are a novel nanomaterial with wide potential applications; however the adverse effects of CNTs following environmental exposure have recently received significant attention."	( Phytotoxicity of multi-walled carbon nanotubes on red spinach (Amaranthus tricolor L) and the role of ascorbic acid as an antioxidant. Begum, P; Fugetsu, B, 2012)	0.38
" In this Account, we attempt to offer a set of rules for the development of graphene and its derivatives to enhance their overall safety and minimize the risks for adverse reactions in humans from exposure."	( Safety considerations for graphene: lessons learnt from carbon nanotubes. Ali-Boucetta, H; Bussy, C; Kostarelos, K, 2013)	0.39
"Given the increasing use of carbon nanotubes (CNT) in composite materials and their possible expansion to new areas such as nanomedicine which will both lead to higher human exposure, a better understanding of their potential to cause adverse effects on human health is needed."	( Critical role of surface chemical modifications induced by length shortening on multi-walled carbon nanotubes-induced toxicity. Boczkowski, J; Bussy, C; Cambedouzou, J; Jegou, P; Landry, MJ; Lanone, S; Launois, P; Mayne-L'hermite, M; Pinault, M, 2012)	0.38
" The use of these materials steadily increases worldwide and toxic outcomes need to be studied for each nanomaterial in depth to prevent adverse effects to humans and the environment."	( Mechanisms of toxicity by carbon nanotubes. Albores, A; Muñoz, B; Rodriguez-Yañez, Y, 2013)	0.39
" Most notably, exposure to MWCNTs was increased depressive and anxious behaviors of treated pups in parallel to adverse effect on their internal organ weights."	( Biosafety of multiwalled carbon nanotube in mice: a behavioral toxicological approach. Ivani, S; Karimi, I; Tabatabaei, SR, 2012)	0.38
" The toxic effects of these CNT-micropollutant mixtures on aquatic organisms are poorly characterized."	( Diuron sorbed to carbon nanotubes exhibits enhanced toxicity to Chlorella vulgaris. Bucheli, TD; Camenzuli, L; Knauer, K; Magrez, A; Nowack, B; Schwab, F; Sigg, L, 2013)	0.39
" However, the potential adverse effects of f-CNTs have not been quantitatively or systematically explored."	( Surface charge and cellular processing of covalently functionalized multiwall carbon nanotubes determine pulmonary toxicity. Chang, CH; Hwang, AA; Ji, Z; Li, R; Li, Z; Liao, YP; Lin, S; Meng, H; Nel, AE; Song, TB; Sun, B; Wang, M; Wang, X; Xia, T; Xu, R; Yang, Y; Zhang, H; Zink, JI, 2013)	0.39
" The results demonstrated that PVK-SWNT was non toxic to fibroblast cells as opposed to pure SWNT (100%)."	( Antimicrobial PVK:SWNT nanocomposite coated membrane for water purification: performance and toxicity testing. Advincula, R; Ahmed, F; Mangadlao, J; Rodrigues, DF; Santos, CM, 2013)	0.39
" Residual metal catalysts differ based on synthesis method used to prepare CNTs and thus may be comprised of elements with varying degrees of toxic potential."	( Stability, metal leaching, photoactivity and toxicity in freshwater systems of commercial single wall carbon nanotubes. Adeleye, A; Bennett, SW; Ji, Z; Keller, AA, 2013)	0.39
" A MRI CA for cellular imaging should label cells efficiently at potentially safe concentrations, have high relaxivity, and not affect the cellular machinery."	( Cytotoxicity, cytocompatibility, cell-labeling efficiency, and in vitro cellular magnetic resonance imaging of gadolinium-catalyzed single-walled carbon nanotubes. Avti, PK; Caparelli, ED; Sitharaman, B, 2013)	0.39
"We found no adverse effects both on embryos and dams up to the dose of 10 μg/mouse."	( Biodistribution and toxicity of pegylated single wall carbon nanotubes in pregnant mice. Bergamaschi, A; Bernardini, R; Bottini, M; Campagnolo, L; Magrini, A; Massimiani, M; Palmieri, G; Pietroiusti, A; Sacchetti, C; Vecchione, L, 2013)	0.39
" Publishing adverse events associated with novel materials is critically important for alerting people exposed to such materials."	( Genotoxicity and carcinogenicity risk of carbon nanotubes. Toyokuni, S, 2013)	0.39
"No adverse effects were observed after inhalation exposure to 10 mg/m3 graphite nanoplatelets or relatively low specific surface area carbon black."	( Comparative inhalation toxicity of multi-wall carbon nanotubes, graphene, graphite nanoplatelets and low surface carbon black. Gröters, S; Hofmann, T; Küttler, K; Landsiedel, R; Ma-Hock, L; Strauss, V; Treumann, S; van Ravenzwaay, B; Wiench, K; Wohlleben, W, 2013)	0.39
" Regarding safety assessment, the differential genotoxicity observed for closely related NMs highlights the importance of investigating the toxic potential of each NM individually, instead of assuming a common mechanism and equal genotoxic effects for a set of similar NMs."	( Genotoxicity evaluation of nanosized titanium dioxide, synthetic amorphous silica and multi-walled carbon nanotubes in human lymphocytes. Antunes, S; De Temmerman, PJ; Jensen, KA; Louro, H; Mast, J; Nesslany, F; Norppa, H; Quarré, S; Silva, MJ; Simar, S; Tavares, AM; Verleysen, E, 2014)	0.4
"There has been a conceptual shift in toxicological studies from describing what happens to explaining how the adverse outcome occurs, thereby enabling a deeper and improved understanding of how biomolecular and mechanistic profiling can inform hazard identification and improve risk assessment."	( A multi-stakeholder perspective on the use of alternative test strategies for nanomaterial safety assessment. Avery, D; Bahadori, T; Bergeson, L; Beryt, E; Bonner, JC; Boverhof, D; Carter, J; Castranova, V; Deshazo, JR; Godwin, H; Hussain, SM; Kane, AB; Klaessig, F; Kuempel, E; Lafranconi, M; Landsiedel, R; Malloy, T; Miller, MB; Morris, J; Moss, K; Nasser, E; Nel, AE; Oberdorster, G; Pinkerton, K; Pleus, RC; Shatkin, JA; Thomas, R; Tolaymat, T; Wang, A; Wong, J, 2013)	0.39
" A deeper understanding of these events and their underlying mechanisms could provide a molecular explanation of the biological and physiological responses following CNT administration and therefore help in the development of safe by design materials."	( Determinants of carbon nanotube toxicity. Andujar, P; Boczkowski, J; Kermanizadeh, A; Lanone, S, 2013)	0.39
"The authors propose a kinetic mechanism to establish designing safe CNTs as a new goal."	( A new approach to design safe CNTs with an understanding of redox potential. Cassee, FR; Castranova, V; Tsuruoka, S, 2013)	0.39
" To gain insight into the toxicity of CNTs in vivo and in vitro, we summarize contributing factors for the toxic effects of CNTs in this review."	( Toxicity of carbon nanotubes. Chen, J; Huang, R; Lin, Y; Wang, J; Wang, R; Xu, Y; Yang, Z, 2013)	0.39
" For providing a guide to develop safe drug carriers, this review discusses the functionalization, toxicity and pharmacokinetics of carbon nanotubes."	( The toxicity and pharmacokinetics of carbon nanotubes as an effective drug carrier. Hu, J; Li, Y; Lin, Y; Luo, E; Shi, P; Song, G, 2013)	0.39
" A prolonged exposure to MWCNTs at predicted environmental relevant concentrations caused adverse effects associated with both the primary and secondary targeted organs on nematodes."	( Crucial role of the biological barrier at the primary targeted organs in controlling the translocation and toxicity of multi-walled carbon nanotubes in the nematode Caenorhabditis elegans. Ge, L; Li, Y; Wang, D; Wang, H; Wu, Q; Zhao, Y, 2013)	0.39
"Lung toxicity mediated by multiwalled carbon nanotubes (MWCNT) has been widely demonstrated and recently associated with induction of carcinogenic asbestos-like effects, but the chemical features that drive this toxic effect have still not been well elucidated."	( The role of iron impurities in the toxic effects exerted by short multiwalled carbon nanotubes (MWCNT) in murine alveolar macrophages. Aldieri, E; Attanasio, A; Cesano, F; Fenoglio, I; Fubini, B; Gazzano, E; Ghigo, D; Gulino, G; Mazzucco, G; Scarano, D, 2013)	0.39
" It is therefore essential to determine whether those interactions will lead to adverse effects or not."	( Hemotoxicity of carbon nanotubes. Bussy, C; Kostarelos, K; Methven, L, 2013)	0.39
"In this study, we investigated the toxic effects of nanocarbon blacks (NCBs) with different sizes to mouse macrophage RAW264."	( Size-dependent cytotoxicity of nanocarbon blacks. Cui, Z; Kong, H; Li, Y; Sun, Y; Xia, K; Zhang, Y; Zhao, Q; Zhu, Y, 2013)	0.39
" The aim of this study was to determine eco-geno toxic effects of single walled carbon nanotubes (SWCNTs) in fresh water snail, Lymnea luteola (L."	( Ecotoxicity of single-wall carbon nanotubes to freshwater snail Lymnaea luteola L.: Impacts on oxidative stress and genotoxicity. Ahmed, M; Alarifi, S; Ali, D; Ali, H, )	0.13
" The reactive oxygen species-mediated toxic mechanism of carbon nanotubes has been extensively discussed and strategies, such as surface modification, have been proposed to reduce the toxicity of these materials."	( Toxicity and efficacy of carbon nanotubes and graphene: the utility of carbon-based nanoparticles in nanomedicine. Ali, S; Biris, AS; Casciano, D; Karmakar, A; Mahmood, M; Petibone, D; Xu, Y; Zhang, Y, 2014)	0.4
" However, concerns about their adverse effects are growing due to the association between exposure to certain nanosized particles and cardiovascular events."	( Injected nanoparticles: the combination of experimental systems to assess cardiovascular adverse effects. Borzykh, AA; Eletskii, AV; Herzig, KH; Järvinen, K; Kauppinen, EI; Lehto, VP; Lobach, AS; Raula, J; Riikonen, J; Salonen, J; Smirin, BV; Tarasova, OS; Tavi, P; Vlasova, MA, 2014)	0.4
" Thus, pharmacological stimulation of the autophagic flux may represent a new method of cytoprotection against toxic effects of nanomaterials."	( Toxicity of carboxylated carbon nanotubes in endothelial cells is attenuated by stimulation of the autophagic flux with the release of nanomaterial in autophagic vesicles. Bonevich, JE; De Paoli, SH; Filipova, M; Holada, K; Janouskova, O; Orecna, M; Simak, J; Tegegn, TZ, 2014)	0.4
"This study investigates the mechanisms of toxicity of multiwalled carbon nanutubes on human endothelial cells, concluding that pharmacological stimulation of autophagic flux may represent a new method of cytoprotection against the toxic effects of these nanomaterials."	( Toxicity of carboxylated carbon nanotubes in endothelial cells is attenuated by stimulation of the autophagic flux with the release of nanomaterial in autophagic vesicles. Bonevich, JE; De Paoli, SH; Filipova, M; Holada, K; Janouskova, O; Orecna, M; Simak, J; Tegegn, TZ, 2014)	0.4
" Thus, to evaluate the toxic and genotoxic effect of multi-wall carbon nanotubes (MWCNTs) on lung cells in vivo, eight-week-old rats were divided into four groups (each group = 25 animals), a fresh air control (0 mg/m(3)), low (0."	( In vivo genotoxicity evaluation of lung cells from Fischer 344 rats following 28 days of inhalation exposure to MWCNTs, plus 28 days and 90 days post-exposure. Ahn, KH; Choi, BG; Hwang, JH; Jeon, K; Kim, JS; Lee, GH; Lee, JH; Lee, JS; Ryu, HY; Shin, JH; Song, KS; Sung, JH; Yu, IJ, 2014)	0.4
" Generally, L-SWCNTs were the most toxic to bacteria, whereas S-SWCNT-COOH showed the mildest bacterial toxicity."	( Modification of Fatty acids in membranes of bacteria: implication for an adaptive mechanism to the toxicity of carbon nanotubes. Guo, X; Xia, N; Xia, X; Zhang, S; Zhu, B, 2014)	0.4
"High-aspect-ratio nanomaterials (HARN) (typically, single-walled carbon nanotubes (SWCNT) or multiwalled carbon nanotubes (MWCNT)) impair airway barrier function and are toxic to macrophages."	( Imogolite: an aluminosilicate nanotube endowed with low cytotoxicity and genotoxicity. Bergamaschi, E; Bernardeschi, M; Bianchi, MG; Bonelli, B; Bussolati, O; Esposito, S; Frenzilli, G; Fubini, B; Guidi, P; Lucchesi, P; Nigro, M; Rotoli, BM; Scarcelli, V; Tomatis, M; Zanello, PP, 2014)	0.4
"The use of nanoparticles (NPs) offers exciting new options in technical and medical applications provided they do not cause adverse cellular effects."	( Use of whole genome expression analysis in the toxicity screening of nanoparticles. Fröhlich, E; Leitinger, G; Meindl, C; Roblegg, E; Wagner, K, 2014)	0.4
" This will have an effect on the physiochemical properties of GOs and their resultant toxic behavior."	( Graphene oxide nanoribbons exhibit significantly greater toxicity than graphene oxide nanoplatelets. Chng, EL; Chua, CK; Pumera, M, 2014)	0.4
"The complex environment of a coal mine requires the underground environment, devices and miners to be constantly monitored to ensure safe coal production."	( Lightweight monitoring and control system for coal mine safety using REST style. Chen, J; Cheng, B; Cheng, X, 2015)	0.42
"MWCNTs, GO, and RGO were all toxic to zebrafish embryos to influence embryos hatching and larvae length."	( Toxicity of multi-walled carbon nanotubes, graphene oxide, and reduced graphene oxide to zebrafish embryos. Guan, WB; Li, XF; Liu, XT; Ma, YQ; Meng, LX; Mu, XY; Sun, H; Wang, CJ; Wu, XL, 2014)	0.4
" The carboxylated (COOH)-MWCNT was found most toxic as evidenced by cytotoxic and genotoxic among all tested compounds."	( Potential toxicity of differential functionalized multiwalled carbon nanotubes (MWCNT) in human cell line (BEAS2B) and Caenorhabditis elegans. Chatterjee, N; Choi, J; Choi, K; Jo, E; Kim, HM; Kim, PJ; Yang, J, 2014)	0.4
" Bacteria may cause bioclogging and inhibit gas extraction, produce toxic hydrogen sulfide, and induce corrosion leading to downhole equipment failure."	( Biocides in hydraulic fracturing fluids: a critical review of their usage, mobility, degradation, and toxicity. Blotevogel, J; Borch, T; Kahrilas, GA; Stewart, PS, 2015)	0.42
" ZnO and Cu(0) were respectively 14 and 7-fold less toxic in sulfate-containing than in sulfate-free assays as indicated by inhibitory constants (Ki)."	( Role of biogenic sulfide in attenuating zinc oxide and copper nanoparticle toxicity to acetoclastic methanogenesis. Field, JA; Gonzalez-Estrella, J; Puyol, D; Sierra-Alvarez, R, 2015)	0.42
" Ammonia (NH3), in equilibrium with NH4(+), is a toxic compound to the methanogenic community, which limits the organic loading rate and endangers process stability."	( Electrochemical nutrient recovery enables ammonia toxicity control and biogas desulfurization in anaerobic digestion. De Vrieze, J; Desloover, J; Mortelmans, J; Rabaey, K; Rozendal, R; Van de Vijver, M, 2015)	0.42
" Lung deposition of carbon nanotubes is known to cause acute localized pulmonary adverse effects."	( Subchronic toxicity and cardiovascular responses in spontaneously hypertensive rats after exposure to multiwalled carbon nanotubes by intratracheal instillation. Autrup, H; Bai, R; Beer, C; Chen, C; Chen, R; Ge, C; Qu, Y; Tseng, MT; Zhang, L, 2015)	0.42
" In contrast, the physicochemical properties of CNT at the nanoscale render them the potency to generate toxic effects."	( Advances in mechanisms and signaling pathways of carbon nanotube toxicity. Dong, J; Ma, Q, 2015)	0.42
" Advanced multivariate statistical methods are employed to establish a model that identifies those MWNT physicochemical properties that best estimate the probability of observing an adverse outcome."	( Toward safer multi-walled carbon nanotube design: Establishing a statistical model that relates surface charge and embryonic zebrafish mortality. Anastas, PT; Gilbertson, LM; Melnikov, F; Tanguay, RL; Wehmas, LC; Zimmerman, JB, 2016)	0.43
" The WOOD extract was most toxic and the GAS extract least toxic."	( Aryl hydrocarbon receptor activation and developmental toxicity in zebrafish in response to soil extracts containing unsubstituted and oxygenated PAHs. Bottai, M; Dreij, K; Jönsson, ME; Lundstedt, S; Wincent, E, 2015)	0.42
" This study, therefore, provides fundamental information for the influence of CNT diameter and surface on protein behavior, which may be helpful to understand toxic effects of CNTs and prove beneficial for developing novel biomedical devices and safe use of nanomaterials."	( Exploring the diameter and surface dependent conformational changes in carbon nanotube-protein corona and the related cytotoxicity. Hao, F; Liu, R; Lu, D; Zhao, X, 2015)	0.42
" We show, for the first time, that toxicity of those materials depends strongly on the ratio of acidic to basic group concentration--the higher is this ratio value, the more toxic are nanotubes."	( Conscious Changes of Carbon Nanotubes Cytotoxicity by Manipulation with Selected Nanofactors. Bolibok, P; Czarnecka, J; Roszek, K; Rychlicki, G; Terzyk, AP; Werengowska-Ciećwierz, K; Wiśniewski, M, 2015)	0.42
"The extensive production and wide application of carbon nanotubes have made investigations of its toxic potentials necessary."	( Mechanisms of Multi-walled Carbon Nanotubes-Induced Oxidative Stress and Genotoxicity in Mouse Fibroblast Cells. Alarifi, S; Ali, D, )	0.13
" The acute toxicity test measured by luminescent bacteria showed that anaerobic digestion could degrade toxic compounds and result in a reduction in toxicity."	( Effect of ultrasonic and ozone pre-treatments on pharmaceutical waste activated sludge's solubilisation, reduction, anaerobic biodegradability and acute biological toxicity. Jiang, Y; Ma, L; Pei, J; Shan, D; Wang, H; Yao, H; Yu, X, 2015)	0.42
" Contrary to what was expected, P46-CNTs with a high grade of functionalization were more toxic to J774 macrophages than P46-CNTs with a low grade of functionalization, than P-CNTs, and had a similar level of toxicity as UP-CNT."	( Cytotoxicity of protein-carbon nanotubes on J774 macrophages is a functionalization grade-dependent effect. Arzate-Quintana, C; González Horta, C; Luna-Velasco, A; Montes-Fonseca, SL; Orrantia-Borunda, E; Sánchez-Ramírez, B; Silva-Cazares, MB, 2015)	0.42
" It is important to test this hypothesis to ascertain safe methods for CNT production, handling and disposal."	( Multi-walled carbon nanotube induced frustrated phagocytosis, cytotoxicity and pro-inflammatory conditions in macrophages are length dependent and greater than that of asbestos. Boyles, MS; Brown, DM; Cowie, H; MacCalman, L; Moisala, A; Proudfoot, L; Smail, F; Smith, PJ; Stone, V; Windle, AH; Young, L, 2015)	0.42
"With increasing application and commercial production, carbon nanotubes (CNTs) will inevitably be released into aquatic environments and affect the transport and toxicity of toxic metals in ecosystems."	( Reduced cadmium accumulation and toxicity in Daphnia magna under carbon nanotube exposure. Liu, J; Wang, WX, 2015)	0.42
" In conclusion, our results indicate that Parylene C encapsulated actuators are safe to touch and can be used in contact with human skin and in biomedical applications in direct contact with tissues and physiological fluids."	( Parylene-coated ionic liquid-carbon nanotube actuators for user-safe haptic devices. Ansaldo, A; Bubak, G; Ceseracciu, L; Gendron, D; Ricci, D, 2015)	0.42
" The evaluation of the intrinsic hazard properties of Graphistrength(©) C100 is an essential step for safe use."	( Lung inflammation and lack of genotoxicity in the comet and micronucleus assays of industrial multiwalled carbon nanotubes Graphistrength(©) C100 after a 90-day nose-only inhalation exposure of rats. Beausoleil, J; Bessibes, C; Chabagno, JM; Dony, E; Gaering, S; Le Net, JL; Nesslany, F; Okazaki, Y; Pothmann, D; Régnier, JF; Schuler, D; Simar, S, 2015)	0.42
" Natural organic matter provides increased colloidal stability to the MWCNTs' dispersions, which results in higher adverse effects on the key invertebrate organism Daphnia magna."	( Colloidal stability and ecotoxicity of multiwalled carbon nanotubes: Influence of select organic matters. Areitioaurtena, O; Barandika, G; Cerrillo, C; Igartua, A; Mendoza, G; Uranga, N, 2016)	0.43
" Our results confirm the toxicity of p-MWCNTs and demonstrate, also for the two kinds of tested functionalized MWCNTs toxic effects with a different mechanism of action."	( Evaluation of uptake, cytotoxicity and inflammatory effects in respiratory cells exposed to pristine and -OH and -COOH functionalized multi-wall carbon nanotubes. Buresti, G; Cavallo, D; Ciervo, A; Fresegna, AM; Iavicoli, S; Maiello, R; Marchetti, M; Superti, F; Ursini, CL, 2016)	0.43
" All of these sectors require a profound investigation about the toxic effects on human and the environment."	( Toxicity of Raw and Purified Single-Walled Carbon Nanotubes in Rat's Lung Epithelial and Cervical Cancer Cells. Biradar, S; Ezeagwu, C; Ezeagwu, D; Goornavar, V; Hall, JC; Ramesh, GT, 2015)	0.42
"Carbon nanotubes (CNTs) are often suspended in Pluronic® surfactants by sonication, which may confound toxicity studies because sonication of surfactants can create degradation products that are toxic to mammalian cells."	( Toxicity assessment and bioaccumulation in zebrafish embryos exposed to carbon nanotubes suspended in Pluronic® F-108. Braun, E; Deutsch, D; Draper, R; Harper, S; Lee, M; Miadzvedskaya, L; N Meredith, A; Pantano, P; Wang, R, 2016)	0.43
" In this context although more investigation is needed to understand the mechanistic pathway relating the biochemical and cellular biomarker analyzed to reproductive alterations, the obtained results give an early contribution to the future development of an adverse outcomes pathways for MWCNTs exposure."	( Multibiomarker response in the earthworm Eisenia fetida as tool for assessing multi-walled carbon nanotube ecotoxicity. Calisi, A; Dondero, F; Grimaldi, A; Leomanni, A; Lionetto, MG; Schettino, T, 2016)	0.43
" Additionally, adverse effects of MWCNTs at low concentration are not well understood."	( Comparison of Cytotoxicity and Inhibition of Membrane ABC Transporters Induced by MWCNTs with Different Length and Functional Groups. Cherr, GN; Li, M; Liu, S; Shen, Z; Wu, B; Yu, J; Zhang, XX, 2016)	0.43
" This study investigated the toxic effects of various Pluronic F-68 (PF68)-coated multi-walled CNTs (MWCNTs) on rat bone marrow-derived MSCs."	( Toxicity analysis of various Pluronic F-68-coated carbon nanotubes on mesenchymal stem cells. Gao, JQ; Hu, YL; Lin, J; Ling, D; Sheng, XX; Yao, MZ, 2016)	0.43
"The objective of the present work was to study the population composition and functional activity of lymphocytes in the spleen and peripheral blood of the rats exposed experimentally to the toxic effect of household gas."	( [The functional activity of lymphocytes in the spleen and peripheral blood in association with the toxic effect of household gas]. Kalinina, EY; Yagmurov, OD, )	0.13
" Methanogens were severely inhibited by 3-nitro-4-methoxyaniline (MENA), with a 50%-inhibiting concentration (IC50) of 25 μM, which is more toxic than DNAN with the same assay, but posed a lower toxicity to Allivibrio fischeri (IC50 = 219 μM)."	( Microbial toxicity and characterization of DNAN (bio)transformation product mixtures. Abrell, L; Alvarez-Nieto, C; Chorover, J; Field, JA; Olivares, CI; Sierra-Alvarez, R, 2016)	0.43
" Other toxic pathways are also examined, and possible ways to overcome these challenges have been discussed."	( Carbon Nanotubes in Biomedical Applications: Factors, Mechanisms, and Remedies of Toxicity. Ahmed, F; Alshehri, R; Arnaout, A; Hasan, A; Ilyas, AM; Memic, A, 2016)	0.43
" Overall, soluble graphitic nanofibers showed moderate toxicity between that of the more toxic graphene oxide and the relatively nontoxic MWCNTs."	( Phytotoxicity of soluble graphitic nanofibers to model plant species. Bernhardt, ES; Colman, BP; Gorka, DE; Jeger, JL; Liu, J; Ma, Y; Zhang, H, 2016)	0.43
" Towards prospective safe clinical applications, the main properties that were adopted to enhance the biocompatibility of SWCNTs were highlighted."	( SWCNTs as novel theranostic nanocarriers for cancer diagnosis and therapy: towards safe translation to the clinics. Al Faraj, A, 2016)	0.43
" The focus was on acclimatization and development of cyanide-degrading biomass and to understand the toxic effects of cyanide on the dynamic equilibrium between various microbial groups."	( Improving the cyanide toxicity tolerance of anaerobic reactor: Microbial interactions and toxin reduction. Ahammad, SZ; Gupta, P; Sreekrishnan, TR, 2016)	0.43
" Toxic effects occurred only at the highest concentration tested (1 ppm) and included high mortality rates, delayed hatching and decreased total larval length."	( Toxicity of single-wall carbon nanotubes functionalized with polyethylene glycol in zebrafish (Danio rerio) embryos. Barros, DM; Bruch, GE; Dal Bosco, L; Fantini, C; Furtado, CA; Girardi, FA; Gonçalves, CO; Peixoto, CS; Sahoo, SK; Santos, AP, 2017)	0.46
" The results may contribute to safe-by-design manufacturing of MWCNT, thereby minimizing adverse effects."	( Multi-walled carbon nanotube physicochemical properties predict pulmonary inflammation and genotoxicity. Atluri, R; Bengtson, S; Berthing, T; Clausen, PA; Jackson, P; Jensen, KA; Kling, K; Knudsen, KB; Kyjovska, ZO; Poulsen, SS; Skaug, V; Thomsen, BL; Vogel, U; Wallin, H; Wolff, H, 2016)	0.43
" Despite reported occurrence of colonic explosion due to methane and hydrogen production by bacterial fermentation during colonoscopy, gas exchange during the procedure is believed to be effective in lowering existing methane concentration, allowing for safe utilization of mannitol for bowel preparation."	( SAFETY OF MANNITOL USE IN BOWEL PREPARATION: a prospective assessment of intestinal methane (CH4) levels during colonoscopy after mannitol and sodium phosphate (NaP) bowel cleansing. Ferrari, AP; Gonçalves, ME; Macedo, EP; Martins, FP; Paulo, GA, )	0.6
" Our results indicate that mannitol use is as safe as NaP, and gas exchange was efficient in reducing methane concentrations."	( SAFETY OF MANNITOL USE IN BOWEL PREPARATION: a prospective assessment of intestinal methane (CH4) levels during colonoscopy after mannitol and sodium phosphate (NaP) bowel cleansing. Ferrari, AP; Gonçalves, ME; Macedo, EP; Martins, FP; Paulo, GA, )	0.57
" Thus, we investigated the adverse effect of CNTs on the marine copepod Paracyclopina nana."	( Adverse effects of MWCNTs on life parameters, antioxidant systems, and activation of MAPK signaling pathways in the copepod Paracyclopina nana. Han, J; Hwang, DS; Jeong, CB; Kang, HM; Kim, DH; Kim, IC; Lee, JS; Lee, JW; Lee, MC; Puthumana, J, 2016)	0.43
" AgNPs were most toxic to BALB/c 3T3 fibroblasts while other ENMs were insignificantly toxic."	( The applicability of conventional cytotoxicity assays to predict safety/toxicity of mesoporous silica nanoparticles, silver and gold nanoparticles and multi-walled carbon nanotubes. Heinonen, T; Mannerström, M; Pyykkö, I; Toimela, T; Zou, J, 2016)	0.43
" Moreover, we highlight fundamental questions that should be addressed in future research involving CNTs, aiming at achieving its safe introduction into the clinics."	( Functionalised carbon nanotubes: From intracellular uptake and cell-related toxicity to systemic brain delivery. Al-Jamal, KT; Bourgognon, M; Costa, PM; Wang, JT, 2016)	0.43
" Further, particle size fractions induced different adverse effect strength, whereby no correlation between particle size fraction and toxicity was found."	( Cytotoxicity of carbon nanohorns in different human cells of the respiratory system. Heutelbeck, A; Hoppmann, P; Lange, M; Schramm, F, 2016)	0.43
" Compared with PFOS exposure, the adverse effects induced by PFOS on the hatching rate of zebrafish embryos and the heart rate and body length of zebrafish larvae were reduced in the presence of MWCNTs, and mortality and malformation were also alleviated."	( The presence of MWCNTs reduces developmental toxicity of PFOS in early life stage of zebrafish. Du, J; Wang, S; Wu, C; You, H; Zhuang, C, 2017)	0.46
" In summary, coelomocyte toxicity in in vitro analysis is a sensitive method for detecting the adverse effects of carbon nanotubes combined with various pollutants."	( Evaluation of Complex Toxicity of Canbon Nanotubes and Sodium Pentachlorophenol Based on Earthworm Coelomocytes Test. Cui, Y; Hu, C; Ji, F; Li, M; Xiao, Y; Yang, Y, 2017)	0.46
"A review of in vivo and in vitro toxicological studies of the potential toxic effects of carbon nanotubes is presented along with the analysis of experimental data and a hypothesis about the nanotube-asbestos similarity."	( Geometry of carbon nanotubes and mechanisms of phagocytosis and toxic effects. Harik, VM, 2017)	0.46
" The threshold dose for safe medical application in relation to both pristine and functionalized carbon nanotubes remains ambiguous."	( Multi-walled carbon nanotubes: A cytotoxicity study in relation to functionalization, dose and dispersion. Forman, HJ; Ge, Y; Lunec, J; Zhou, L, 2017)	0.46
" Drone collected gas concentration data provides a safe alternative for evaluating the rank of a burning coal seam."	( Fast and safe gas detection from underground coal fire by drone fly over. Dunnington, L; Nakagawa, M, 2017)	0.46
" However, data on toxic effect from in vivo experiment is limited."	( Comparative toxicity of chloro- and bromo-nitromethanes in mice based on a metabolomic method. Wu, B; Xian, Q; Yin, J; Zhang, XX, 2017)	0.71
" Sediment elutriate exposures were undertaken with Ceriodaphnia dubia to compare the toxic effects of diphenhydramine in the presence and absence of sediment and multi-walled carbon nanotubes."	( Multi-walled Carbon Nanotubes Reduce Toxicity of Diphenhydramine to Ceriodaphnia dubia in Water and Sediment Exposures. Black, MC; Myer, MH, 2017)	0.46
"Recently carbon nanotubes (CNTs) showed promising potentials in different biomedical applications but their safe use in humans and probable toxicities are still challenging."	( Acute toxicity of functionalized single wall carbon nanotubes: A biochemical, histopathologic and proteomics approach. Abnous, K; Ahmadi, H; Behnam, B; Hashem Nia, A; Matbou Riahi, M; Mokhtarzadeh, A; Ramezani, M; Razavi Azarkhiavi, K; Razavi, BM; Yazdian-Robati, R, 2017)	0.46
"CNT NCs by a facile I-V method for the significant applications of toxic chemicals for the safety of environmental and health-care fields."	( Fabrication of 3-methoxyphenol sensor based on Fe3O4 decorated carbon nanotube nanocomposites for environmental safety: Real sample analyses. Asiri, AM; Hussain, MM; Rahman, MM, 2017)	0.46
"Carbon nanotubes can be either toxic or beneficial to plant growth and can also modulate toxicity of organic contaminants through surface sorption."	( Multiwall carbon nanotubes modulate paraquat toxicity in Arabidopsis thaliana. Fan, X; Fu, Z; Lavoie, M; Lu, T; Peijnenburg, WJGM; Qian, H; Xu, J; Zhu, T; Zhu, Y, 2018)	0.48
" However, the same characteristics that have made nanomaterials interesting for industry may be responsible for inducing toxic effects on the aquatic organisms."	( Evaluation of multiwalled carbon nanotubes toxicity in two fish species. Carneiro, PG; Cestari, MM; Cimbaluk, GV; Da Silva De Assis, HC; Perussolo, MC; Ramsdorf, WA; Santos, HKF; Schnitzler, DC; Schnitzler, MC, 2018)	0.48
"The acute toxicity of three differently shaped carbon nanomaterials (CNMs) was studied on Daphnia magna, comparing the induced effects and looking for the toxic mechanisms."	( Comparative toxicity of three differently shaped carbon nanomaterials on Daphnia magna: does a shape effect exist? Bacchetta, R; Longhi, M; Maggioni, D; Santo, N; Tremolada, P; Valenti, I, 2018)	0.48
" However, the toxic potential of CNTs was reported in various cell lines and animal models."	( Toxicity of carbon nanotubes: A review. Devasena, T; Francis, AP, 2018)	0.48
" CNTs have a very strong adsorption affinity for various environmental contaminants; therefore, they may also influence the toxic effects of other pollutants, such as toxic metals."	( Effects of functionalized multi-walled carbon nanotubes on toxicity and bioaccumulation of lead in Daphnia magna. Hwang, YS; Jang, MH, 2018)	0.48
" These findings will be helpful to clarify the mechanism of interactions of functionalized SWCNTs with human serum proteins, and provide more insight into the understanding of how to design the safe nanoparticles by preconsideration of their interactions with proteins."	( Adsorption of human serum albumin on functionalized single-walled carbon nanotubes reduced cytotoxicity. Ding, Y; Li, L; Liu, F; Lu, N; Sui, Y; Tian, R, 2018)	0.48
"Despite intensive research carried out on particulates, correlation between engine-out particulate emissions and adverse health effects is not well understood yet."	( Toxicity and mutagenicity of exhaust from compressed natural gas: Could this be a clean solution for megacities with mixed-traffic conditions? Agarwal, AK; Agarwal, RA; Ateeq, B; Gupta, NK; Gupta, T; Jain, A; Pandey, SK; Sharma, H; Sharma, N; Shukla, PC; Singh, AP, 2018)	0.48
" We claim that a compound with anti-inflammatory and antioxidant activity may ameliorate the CNT-induced toxic effect."	( Multi-walled carbon nanotube-induced inhalation toxicity: Recognizing nano bis-demethoxy curcumin analog as an ameliorating candidate. Devasena, T; Francis, AP; Ganapathy, S; Murthy, PB; Palla, VR; Ramaprabhu, S, 2018)	0.48
" CNTs especially SWCNTs were toxic to organs and induced death at high dosages."	( The toxicity and therapeutic effects of single-and multi-wall carbon nanotubes on mice breast cancer. Alizadeh, AM; Falahati, M; Hosseini Ghale Noei, S; Kalhori, MR; Kavosi, A; Khalighfard, S; Khodayari, H; Khodayari, S; Madani, S; Mirzaei, M; Yavarian, M, 2018)	0.48
" The implication to the environmental risks and safe applications of carbon nanomaterials is discussed."	( Toxicity of carbon nanotubes to white rot fungus Phanerochaete chrysosporium. Bai, Y; Feng, S; Ma, Q; Ming, Z; Yang, H; Yang, S; Yang, ST; Yilihamu, A, 2018)	0.48
" The early stages of chicken embryogenesis, which are characterized by rapid embryonic growth, provide a sensitive model for studying the possible toxic effects on organ development, body weight, and oxidative stress."	( Developmental toxicity of carbon nanoparticles during embryogenesis in chicken. Abd El-Hack, ME; Abdel-Daim, MM; Abdelnour, SA; Aleya, L; El-Far, AH; El-Naggar, K; El-Sayed, YS; El-Seedi, HR; Noreldin, AE; Saied, EM; Samak, DH; Shaheen, HM, 2020)	0.56
" Combined exposure to F-MWCNTs and BaP decreases cytotoxicity compared to individual exposure, but the difference is not statistically significant in all toxicity assays; hence, the two-factorial analysis indicated an additive toxic interaction."	( Individual and combined toxicity of carboxylic acid functionalized multi-walled carbon nanotubes and benzo a pyrene in lung adenocarcinoma cells. Khodagholi, F; Mehrabi, Y; Mohammadian, Y; Omidi, M; Peirovi, H; Pourahmad, J; Rafieepour, A; Rezazadeh Azari, M, 2019)	0.51
" This leads to inevitably their release into the environment and the formation of their toxic effects on organisms."	( A holistic study on potential toxic effects of carboxylated multi-walled carbon nanotubes (MWCNTs-COOH) on zebrafish (Danio rerio) embryos/larvae. Ciltas, A; Icoglu Aksakal, F; Simsek Ozek, N, 2019)	0.51
" The heat-treated MWCNTs showed significantly stronger adverse effects when compared to the non-treated MWCNTs."	( Surface defects reduce Carbon Nanotube toxicity in vitro. Braun, A; Hampel, S; Hansen, T; Requardt, H; Steinberg, P, 2019)	0.51
" This work establishes the biocompatibility of the reported wound sensor for human measurements with minimal toxic effects on human keratinocytes."	( Toxicity assessment of wearable wound sensor constituents on keratinocytes. Bhansali, S; Bhushan, P; Hutcheson, JD; Umasankar, Y, 2019)	0.51
" The ingestion and exterior attachment of MWCNTs to the copepod might be the main reasons causing the adverse effect in reproduction."	( Effect of Multi-walled Carbon Nanotubes on the Toxicity of Triphenyltin to the Marine Copepod Tigriopus japonicus. Chi, T; Jing, S; Li, W; Li, Z; Wu, M; Yi, X; Yu, M; Zhang, K, 2019)	0.51
" This review article describes the various types of carbon-based nanomaterials and methods that use for determining these toxic effects that are reported recently in the papers."	( Toxicity of carbon-based nanomaterials: Reviewing recent reports in medical and biological systems. Azimzadeh, M; Darvishi, MH; Jahanpeyma, F; Javadi, H; Madannejad, R; Shoaie, N, 2019)	0.51
" Functionalization changed the toxic effects of the SWCNTs, and different influence was found between long SWCNTs and short SWCNTs."	( Comparison of cytotoxicity and membrane efflux pump inhibition in HepG2 cells induced by single-walled carbon nanotubes with different length and functional groups. Jiang, W; Liu, S; Nurmamat, H; Shen, Z; Wu, B; Wu, J; Yu, Y, 2019)	0.51
" Here, the toxic effect of ball-milled biochar on Streptomyces was compared to that of pristine biochar and two other carbon nanomaterials of different shapes-graphene oxide and multi-walled carbon nanotubes."	( A comparative analysis of ball-milled biochar, graphene oxide, and multi-walled carbon nanotubes with respect to toxicity induction in Streptomyces. Liu, Q; Liu, R; Liu, X; Tang, J; Wang, L, 2019)	0.51
"Bisphenol analogues have been developed as alternatives to bisphenol A (BPA), a common chemical with potential adverse effects on human health."	( Evaluation of single and combined toxicity of bisphenol A and its analogues using a highly-sensitive micro-biosensor. Li, B; Wang, C; Wu, G; Xing, Y; Yuan, X; Zhu, X, 2020)	0.56
" However, before the implementation of these nanomaterials, toxicity assessment is essential for its safe usage."	( Candle soot derived carbon nanoparticles: An assessment of cellular and progressive toxicity using Drosophila melanogaster model. Gautam, NK; Pandey, H; Saini, S; Singh, S; Singh, SP, 2020)	0.56
"5% ID) and does not correlate with BBB translocation, (iii) anionic fMWCNT have highest transport levels across an in vitro model of the human BBB compared to non-ionic or cationic nanotubes; and (iv) fMWCNT are not toxic to hippocampal neurons at relevant abluminal concentrations; however, fMWCNT charge has an effect on carbon nanotube neurotoxicity at higher fMWCNT concentrations."	( Quantification of blood-brain barrier transport and neuronal toxicity of unlabelled multiwalled carbon nanotubes as a function of surface charge. Dexter, DT; Gonzalez-Carter, D; Goode, AE; Hu, S; Kiryushko, D; Lopes-Rodrigues, R; Masuda, S; Porter, AE; Shaffer, MSP, 2019)	0.51
"Nanoparticle drug formulations have enormous application prospects owing to achievement of targeted and sustained release drug delivery, improvement in drug solubility and reduction of adverse drug reactions."	( Toxicity of Carbon Nanotubes as Anti-Tumor Drug Carriers. Dong, Y; Kebebe Borga, D; Li, J; Liu, Z; Ma, Z; Sun, X; Xie, J; Xue, Z; Yan, H, 2019)	0.51
" The study suggests that the nanohybrid developed will be safe and useful for delivery of micro or macro biomolecules in fish and higher animals."	( Chitosan grafting onto single-walled carbon nanotubes increased their stability and reduced the toxicity in vivo (catfish) model. Bhat, IA; Chanu, TI; Kumar, P; Nayak, SK; Pathakota, GB; Sharma, R; Walke, P; Wisdom, KS, 2020)	0.56
" These increased release rates of potentially toxic compounds likely explain the lower replication of Allium cepa cells (up to 22% reduction) exposed to water overlying sediments after rewetting."	( Sediment drying-rewetting cycles enhance greenhouse gas emissions, nutrient and trace element release, and promote water cytogenotoxicity. Almeida, J; Almeida, RM; Araújo, RL; Barros, N; Campos, JM; Cardoso, SJ; Josué, IIP; Kosten, S; Mendonça, R; Paranaíba, JR; Quadra, G; Roland, F; Silva, J, 2020)	0.56
" composites, coatings, food packaging, etc, raise concerns about the adverse effects that CNTs can induce in humans and environment."	( In vitro cytotoxicity assessment of pristine and carboxyl-functionalized MWCNTs. Bergamaschi, E; Brasinika, D; Charitidis, CA; Karoussis, IK; Kyriakidou, K; Trompeta, AFA, 2020)	0.56
" This study aimed to assess the toxicity of fish wastewater with different salinities on the biomethanation process and to propose optimum co-digestion scenarios for maximal methane potential and safe use in biogas plants."	( Saline fish wastewater in biogas plants - Biomethanation toxicity and safe use. Angelidaki, I; Fotidis, IA; Letelier-Gordo, CO; Mancini, E; Pedersen, PB, 2020)	0.75
" In order to safeguard workers and consumers, the toxic properties of MWCNTs need to be identified."	( The pulmonary toxicity of carboxylated or aminated multi-walled carbon nanotubes in mice is determined by the prior purification method. Bonner, JC; Creutzenberg, O; Duke, KS; Hussain, S; Ihrie, MD; Kodali, VK; Lee, HY; Lison, D; Potara, M; Taylor-Just, AJ; Todea, M; Turcu, F; van den Brule, S; Vulpoi, A; You, DJ; Ziemann, C, 2020)	0.56
" Physicochemical factors, such as metal impurities, length, size, solubilizing agents, CNTs functionalization, and agglomeration, that may lead to oxidative stress, toxic signaling pathways, and potential ways to control these mechanisms are also discussed."	( Toxicity of Carbon Nanotubes: Molecular Mechanisms, Signaling Cascades, and Remedies in Biomedical Applications. Chinna, K; Hosseini Fouladi, M; Palanisamy, NK; Saleemi, MA; Wong, EH; Yong, PVC, 2021)	0.62
" Then, current research focusing on CNMs-associated aquatic toxicity is discussed thoroughly, mainly demonstrating: (1) the adverse effects on aquatic organisms should not be overlooked prior to large-scale CNMs application; (2) divergent consequences can be further reduced if the ecological niche of aquatic organisms is emphasized; and (3) further investigations on joint toxicity can provide greater beneficial insight into realistic exposure scenarios."	( Wastewater treatment nexus: Carbon nanomaterials towards potential aquatic ecotoxicity. Chen, X; Ho, SH; Zhang, C, 2021)	0.62
" Hence, it is imperative to understand the toxic effects of CNTs on plants."	( Insights into the mechanism of multi-walled carbon nanotubes phytotoxicity in Arabidopsis through transcriptome and m6A methylome analysis. Chen, X; Cheng, C; Dai, Z; Deng, C; Hu, R; Li, A; Liu, C; Su, J; Tang, Q; Wu, Y; Xiong, X; Xu, Y; Yan, A; Yang, Z; Zhang, X, 2021)	0.62
"The wide application of carbon-based nanomaterials (CNMs) has resulted in the ubiquity of CNMs in the natural environment and they potentially impose adverse consequences on ecosystems and human health."	( Comparative and mechanistic toxicity assessment of structure-dependent toxicity of carbon-based nanomaterials. Amadei, CA; Gou, N; Gu, AZ; Jiang, T; Lan, J; Lin, Y; Rahman, SM; Vecitis, CD, 2021)	0.62
"The coexistence of multi-walled carbon nanotubes (MWCNTs) with cadmium (Cd) in soil may cause the combined biological effects, but few study reported about their joint toxic effects on earthworms."	( Evaluation of the combined toxicity of multi-walled carbon nanotubes and cadmium on earthworms in soil using multi-level biomarkers. Chai, Y; Gong, J; Huang, Y; Lin, J; Liu, J; Yang, J; Yang, X; Zhang, W; Zhang, X, 2021)	0.62
" However, these methods are time-consuming and require toxic solvents and harsh reaction conditions."	( [Synthesis and application progress of covalent organic polymers in sample preparation for food safety analysis]. Chen, Y; Hu, Y; Li, G; Wang, P, 2021)	0.62
" The potential increase of CNTs in the environment is a concern, and studies to assess the toxic effects of these nanomaterials (NMs) are needed."	( The adverse effects of injected functionalized multi-walled carbon nanotube (f-MWCNT) on in vivo neurosecretory brain cells of Jamaican field cricket, Gryllus assimilis. Barros, DM; Bruch, GE; da Fonseca, DB; de Oliveira, PSC; Limberger, GM; Zacouteguy, AMB, 2021)	0.62
"The rapid development of carbon nanotubes (CNTs) in the field of fish disease control and prevention raises concerns about the toxicity and safe use in fish."	( Toxicity of amine-functionalized single-carbon nanotube (NH Gao, S; Gao, X; Huang, Y; Ren, H; Xiong, J; Zheng, X, 2021)	0.62
" Furthermore, SCFs are less pulmonary toxic than bent multi-walled carbon nanotubes."	( Pulmonary toxicity, cytotoxicity, and genotoxicity of submicron-diameter carbon fibers with different diameters and lengths. Fujita, K; Maru, J; Obara, S, 2022)	0.72
" This study investigated the toxic effects of multi-walled carbon nanotubes (MWCNTs) and copper oxide nanoparticles (CuO NPs) on Tetradesmus obliquus."	( The combined toxicity and mechanism of multi-walled carbon nanotubes and nano copper oxide toward freshwater algae: Tetradesmus obliquus. Cai, Z; Cao, W; Chen, Z; Fang, R; Gong, J; Huang, D; Ye, J, 2022)	0.72
"The potential environmental risk associated with flowback waters generated during hydraulic fracturing of target shale gas formations needs to be assessed to enable management decisions and actions that prevent adverse impacts on aquatic ecosystems."	( The influence of salinity on the chronic toxicity of shale gas flowback wastewater to freshwater organisms. Adams, MS; Binet, MT; Golding, LA; Gregg, A; King, J; Kirby, JK; Kumar, A; McKnight, KS; Nidumolu, B; Spadaro, DA, 2022)	0.72
" However, their possible toxicity and adverse effects convert them into a major health threat for humans and animals."	( Evaluating the cytotoxicity and pathogenicity of multi-walled carbon nanotube through weighted gene co-expression network analysis: a nanotoxicogenomics study. Ghobadi, MZ; Salih, SJ, 2022)	0.72
" This insights into the toxic effects of existing nanomaterials on the human reproductive system."	( A critical review of advances in reproductive toxicity of common nanomaterials to Caenorhabditis elegans and influencing factors. Tang, M; Yao, Y; Zhang, T, 2022)	0.72
"8%) of the respondents reported using at least one NIOSH resource to acquire information about safe handling of ENMs."	( Results of the 2019 Survey of Engineered Nanomaterial Occupational Health and Safety Practices. Eastlake, A; Hodson, L; Neu-Baker, NM, 2022)	0.72
" A predictive framework is required to develop safe nanomaterials, and a Bayesian network (BN) model based on adverse outcome pathway (AOP) can be utilized for this purpose."	( Quantitative adverse outcome pathway (qAOP) using bayesian network model on comparative toxicity of multi-walled carbon nanotubes (MWCNTs): safe-by-design approach. Choi, J; Jeong, J, 2022)	0.72
" This major expansion in fossil fuel production is possible in part due to the 2005 Energy Policy Act and its "Halliburton Loophole," which exempts fracking activity from regulation under the Safe Drinking Water Act (SDWA)."	( Outcomes of the Halliburton Loophole: Chemicals regulated by the Safe Drinking Water Act in US fracking disclosures, 2014-2021. Allison, G; Fiuza, A; Lerman-Sinkoff, S; Poudrier, G; Underhill, V; Vera, L; Wylie, S, 2023)	0.91
" Carbon nanotubes (CNTs) may affect many organs, directly or indirectly, so there is a need for toxic effects evaluation."	( Assessment of Pristine Carbon Nanotubes Toxicity in Rodent Models. Florek, E; Mrówczyński, R; Witkowska, M, 2022)	0.72
" They are generally safe for therapy, and their toxicity profile remains dependent on their physicochemical properties."	( Carbon Nanotubes as Carriers in Drug Delivery for Non-Small Cell Lung Cancer, Mechanistic Analysis of Their Carcinogenic Potential, Safety Profiling and Identification of Biomarkers. Pu, Z; Sun, Y; Wang, Y; Wei, Y; Zhu, S, 2022)	0.72
" Nanocoatings have excellent potential for future use, but safe development of antimicrobials requires careful consideration of the "One Health" agenda, appropriate legislation, and risk assessment."	( Review of Antimicrobial Nanocoatings in Medicine and Dentistry: Mechanisms of Action, Biocompatibility Performance, Safety, and Benefits Compared to Antibiotics. Besinis, A; Butler, J; Handy, RD; Upton, M, 2023)	0.91
" Chemotherapies are frequently used for cancer treatment, but these have severe adverse effects due to a lack of target specificity."	( Carbon Nanotubes in Breast Cancer Treatment: An Insight into Properties, Functionalization, and Toxicity. Mishra, V; Mishra, Y; Ranjan, A; Srivastava, N; Tambuwala, MM, 2023)	0.91
" This study was to evaluate the adverse effects and toxic mechanisms of MWCNTs on human ocular cells."	( Inflammatory Genes Associated with Pristine Multi-Walled Carbon Nanotubes-Induced Toxicity in Ocular Cells. Hu, J; Luo, X; Su, J; Xie, D, 2023)	0.91
" Thus, zebrafish transcriptome analyses revealed organic toxicant-induced adverse outcome pathways and served as evidence for TIE confirmation in complex mixtures under data-poor scenarios."	( Toxicity identification evaluation for hydraulic fracturing flowback and produced water during shale gas exploitation in China: Evidence from tissue residues and gene expression. Cheng, F; Li, H; Li, L; Tong, Y; Wang, D; Wu, F; You, J; Yu, Z; Zeng, X; Zhang, B; Zhang, S; Zhou, Z, 2023)	0.91
" Here we show that the toxic effects of single and combined exposure to DBP (0."	( Multi-walled carbon nanotubes enhance the toxicity effects of dibutyl phthalate on early life stages of zebrafish (Danio rerio): Research in physiological, biochemical and molecular aspects. Chen, H; Li, Y; Liang, H; Ren, B; Zhao, T; Zhao, Y, 2023)	0.91

Pharmacokinetics

Excerpt	Reference	Relevance
" The observed rapid blood clearance and half-life (3 h) of f-SWNT has major implications for all potential clinical uses of CNT."	( Tissue biodistribution and blood clearance rates of intravenously administered carbon nanotube radiotracers. Bianco, A; Klumpp, C; Kostarelos, K; Lacerda, L; Pantarotto, D; Pastorin, G; Prato, M; Singh, R, 2006)	0.33
" Based on these values the intracellular nonenzymatic reduction of TAM+ to TAM-H by endogenous NADH was estimated to proceed with an average half-life of 30 min."	( An assessment of the role of intracellular reductive capacity in the biological clearance of triarylmethane dyes. Ozer, I; Tacal, O, 2007)	0.56
" Thus, such significant levels of binding of biologically relevant compounds to carbon nanotubes might lead to alterations in the normal pharmacodynamic profiles of these compounds and be a source of toxicity."	( Affinity of drugs and small biologically active molecules to carbon nanotubes: a pharmacodynamics and nanotoxicity factor? Hopfinger, AJ; Liu, J; Yang, L, )	0.13
"A full understanding of the pharmacokinetic parameters describing nanomaterial disposition in the body would greatly facilitate development of a firm foundation upon which risk assessment could be based."	( Pharmacokinetics of nanomaterials: an overview of carbon nanotubes, fullerenes and quantum dots. Riviere, JE, )	0.13
" They have recently aroused great interests as drug carriers, but their pharmacokinetic profiles which determine their potentials in clinical application are yet to be fully understood."	( Pharmacokinetics of CNT-based drug delivery systems. Cai, X; Lin, Y; Luo, Z; Peng, Q; Wang, J; Wang, S; Ye, R, 2013)	0.39
" The pharmacokinetic profile of DTX was exceptionally improved by the conjugation, in general, and coadministration with piperine, in specific vis-à-vis plain drug."	( Conjugation of Docetaxel with Multiwalled Carbon Nanotubes and Codelivery with Piperine: Implications on Pharmacokinetic Profile and Anticancer Activity. Arora, S; Bhushan, S; Guru, SK; Katare, OP; Kiran, C; Kumar, D; Kumar, M; Kumar, P; Raza, K; Sharma, G, 2016)	0.43

Compound-Compound Interactions

The study aimed to evaluate the effect of ryegrass pasture combined with a partial TMR on enteric methane emissions, dry matter intake (DMI), and performance of dairy cows from mid to late lactation. Pot scrubbers in combination with a low-grain diet decreased the amount of methane produced in vitro from 4 to 3. After 21 days of probiotics combined with prebiotics, the incidence of pure methane positivity in the methane-hydrogen breath test was significantly reduced.

Excerpt	Reference	Relevance
"A novel on-plate digestion method combined with MALDI-MS analysis is reported, using trypsin-linked dendrimer-modified carbon nanotubes (dCNTs) as the enzyme immobilization probe."	( Immobilization of trypsin on water-soluble dendrimer-modified carbon nanotubes for on-plate proteolysis combined with MALDI-MS analysis. Cao, W; Liu, M; Lu, H; Wu, H; Yang, P; Yang, S; Zhang, Y, 2010)	0.36
"For the first time, magnetic multiwalled carbon nanotubes (MWNTs) combined with near-infrared radiation-assisted desorption (NIRAD) was successfully developed for the determination of tissue distribution of doxorubicin liposome injects (DOXLI) in rats."	( Development of magnetic multiwalled carbon nanotubes combined with near-infrared radiation-assisted desorption for the determination of tissue distribution of doxorubicin liposome injects in rats. Chen, J; Deng, C; Jiang, X; Lu, X; Ren, J; Shen, S, 2011)	0.37
"Two trials were conducted to identify the optimal levels of essential oil active components (EOAC) and their combination with fumarate on in vitro rumen fermentation."	( In vitro rumen fermentation and methane production are influenced by active components of essential oils combined with fumarate. Liang, Q; Lin, B; Liu, JX; Lu, Y; Wang, JH, 2013)	0.67
"The free energy profiles, ΔG(r), for penetration of methane and water molecules into sodium dodecyl sulfate (SDS) micelles have been calculated as a function of distance r from the SDS micelle to the methane and water molecules, using the thermodynamic integration method combined with molecular dynamics calculations."	( Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations. Fujimoto, K; Okazaki, S; Yoshii, N, 2012)	0.9
"Carbon nanotube-reinforced hollow fiber solid-phase microextraction (CNTs-HF-SPME) combined with high-performance liquid chromatography (HPLC) was used to extract and determine diethylstilbestrol (DES) in milk products."	( Determination of diethylstilbestrol in milk using carbon nanotube-reinforced hollow fiber solid-phase microextraction combined with high-performance liquid chromatography. Chen, J; Shi, YP; Yang, Y, 2012)	0.38
"The photothermal effect of single-walled carbon nanotubes (SWCNTs) in combination with the anticancer drug doxorubicin (DOX) for targeting and accelerated destruction of breast cancer cells is demonstrated in this paper."	( Accelerated killing of cancer cells using a multifunctional single-walled carbon nanotube-based system for targeted drug delivery in combination with photothermal therapy. Hasumura, T; Jeyamohan, P; Kumar, DS; Maekawa, T; Nagaoka, Y; Yoshida, Y, 2013)	0.39
"In this work, carbon-nanotube-assisted electromembrane extraction in the two-phase mode combined with GC was developed for the preconcentration and determination of basic drugs in body fluids."	( Development of carbon-nanotube-assisted electromembrane extraction in the two-phase mode combined with GC for the determination of basic drugs. Fakhari, AR; Hasheminasab, KS; Koruni, MH, 2014)	0.4
" Such a treatment in combination with anti-CTLA-4 antibody therapy is able to prevent the development of tumor metastasis, which is a major cause of cancer death."	( Immunological responses triggered by photothermal therapy with carbon nanotubes in combination with anti-CTLA-4 therapy to inhibit cancer metastasis. Liang, C; Liu, Z; Peng, R; Wang, C; Xiang, J; Xu, L, 2014)	0.4
" The hypothesis of the present study is that when combined with fat, soybean hulls (SH) could replace corn as a source of energy, reducing methane production without affecting animal performance."	( Effect of starch-based supplementation level combined with oil on intake, performance, and methane emissions of growing Nellore bulls on pasture. Berchielli, TT; Messana, JD; Neto, AJ; Ribeiro, AF; Rossi, LG; Vito, ES, 2015)	0.84
" This article is devoted to investigating the possibility of biogas production from cephalosporin C residue (CPCAR), one typical type of antibiotic residues, via anaerobic digestion in combination with hydrothermal pretreatment (HTPT)."	( Anaerobic digestion of antibiotic residue in combination with hydrothermal pretreatment for biogas. Li, C; Ma, D; Xu, G; Zhang, G; Zhang, Z, 2015)	0.42
" We aimed to investigate the role of peptide backbone in tuning the formation of different types of nanostructures alone or in combination with carbon nanotubes."	( Self-assembly of diphenylalanine backbone homologues and their combination with functionalized carbon nanotubes. Bianco, A; Dinesh, B; Ménard-Moyon, C; Samorì, P; Squillaci, MA, 2015)	0.42
" A possible degradation pathway of TCS was investigated according to the detected intermediates, which were identified by liquid chromatography-hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) combined with theoretical calculation of Gaussian 09 program."	( Degradation of triclosan in aqueous solution by dielectric barrier discharge plasma combined with activated carbon fibers. Feng, J; He, D; Sun, Y; Wang, J; Xin, L, 2016)	0.43
"Pretreatment with ozone combined with aqueous ammonia was used to recover residual organic carbon from recalcitrant solid digestate for ethanol production after anaerobic digestion (AD) of rice straw."	( Enhancing ethanol production from thermophilic and mesophilic solid digestate using ozone combined with aqueous ammonia pretreatment. Ai, P; Wang, D; Xi, J; Yan, S; Yu, L; Zhai, H; Zhang, Y, 2016)	0.43
" The present study aimed to evaluate the effect of ryegrass pasture combined with a partial TMR on enteric methane emissions, dry matter intake (DMI), and performance of dairy cows from mid to late lactation."	( Ryegrass pasture combined with partial total mixed ration reduces enteric methane emissions and maintains the performance of dairy cows during mid to late lactation. Almeida, JGR; Carvalho, PCF; Dall-Orsoletta, AC; Ribeiro-Filho, HMN; Savian, JV, 2016)	0.88
" To evaluate the joint toxicity of multi-walled carbon nanotubes (MWCNTs) and nonylphenol (NP), we investigated the toxicological effects of NP, pristine MWCNTs, and MWCNTs combined with NP in male mice."	( Toxicological assessment of multi-walled carbon nanotubes combined with nonylphenol in male mice. Cui, Y; Fang, H; Wang, S; Wang, Z, 2018)	0.48
"A method using microwave-assisted ionic liquid-micelle extraction combined with dispersive micro-solid-phase extraction (DMSPE) has been proposed for the extraction of three sesquiterpenoids in Curcuma plant."	( Microwave-assisted ionic liquid-based micelle extraction combined with trace-fluorinated carbon nanotubes in dispersive micro-solid-phase extraction to determine three sesquiterpenes in roots of Curcuma wenyujin. Chu, C; Jiang, L; Liu, C; Wang, S; Yan, J; Zhang, H, 2019)	0.51
"A green and highly efficient ultrasound-assisted deep eutectic solvent extraction combined with functionalized magnetic multi-walled carbon nanotubes solid-phase extraction method for determination of seven pesticide residues in food products was developed."	( Ultrasound-assisted deep eutectic solvent as green and efficient media combined with functionalized magnetic multi-walled carbon nanotubes as solid-phase extraction to determine pesticide residues in food products. Meng, Z; Zhao, J; Zhao, L; Zhao, Z, 2020)	0.56
"A solid-phase extraction method combined with deep eutectic solvent-based dispersive liquid-liquid microextraction has been developed for the extraction of three antibiotics in honey samples prior to their determination by ion mobility spectrometry."	( Preparation of multiwall carbon nanotube/urea-formaldehyde nanocomposite as a new sorbent in solid-phase extraction and its combination with deep eutectic solvent-based dispersive liquid-liquid microextraction for extraction of antibiotic residues in hone Afshar Mogaddam, MR; Javadi, A; Mirzaei, H; Nemati, M; Shahi, M, 2021)	0.62
" Taken together, this is the first study to show that CNTs can be used in combination with microwaves to cause targeted ablation of cells in mice without any side effects, which would be ideal for cancer therapies."	( Ablation of cells in mice using antibody-functionalized multiwalled carbon nanotubes (Ab-MWCNTs) in combination with microwaves. Chall, A; Gato, E; Mixson, A; Quirino, RL; Sittaramane, V; Stagg, J, 2021)	0.62
" Here we investigated effects of experimental low-intensity fire and shrub cutting, in combination with warming, on soil biogeochemical cycles and post-fire greenhouse gas (GHG) emissions in a dry heath tundra, West Greenland."	( Effects of experimental fire in combination with climate warming on greenhouse gas fluxes in Arctic tundra soils. Ambus, PL; Elberling, B; Furbo-Halken, A; Holm, SS; Lambæk, A; Xu, W, 2021)	0.62
"This study explored the effect of potassium ferrate (PF) combined with ultrasound (US) pretreatment on methane generation from sludge by a series of experiments and simulations."	( Enhanced methane production from waste activated sludge by potassium ferrate combined with ultrasound pretreatment. Guo, B; Hu, J; Li, Z; Wu, Z; Zhang, J, 2021)	1.25
" The results show that elimination of the hyaluronic acid barrier combined with the doxorubicin-loaded nanoprobes can greatly increase drug penetration into tumor tissue and improve the effectiveness of chemotherapy drugs."	( Decreasing hyaluronic acid combined with drug-loaded nanoprobes improve the delivery and efficacy of chemotherapeutic drugs for pancreatic cancer. Deng, H; Fan, YF; Guo, KX; Lu, GH; Shang, WT; Tian, J; Wang, CC; Zhu, XH, 2021)	0.62
" The present study proposed fixed bed adsorption using granular activated carbon (GAC) combined with ultrafiltration (UF) for the first time to investigate the treatment performance and membrane fouling mechanism."	( Granular activated carbon (GAC) fixed bed adsorption combined with ultrafiltration for shale gas wastewater internal reuse. Bai, Y; Liang, J; Liu, B; Liu, Y; Wu, Q; Xie, T, 2022)	0.72
"Enrichment culture combined with the microbial electrochemical system was used to co-enhance the low-temperature (20 °C) anaerobic digestion."	( Enrichment culture combined with microbial electrochemical enhanced low-temperature anaerobic digestion of cow dung. He, C; Jiao, Y; Li, P; Liu, L; Pan, X; Yuan, Y, 2022)	0.72
"This study aimed to analyze the effect of carbon fiber nanotube tracheotomy (CFNT) under swallowing training (ST) combined with bronchofiberoscope alveolar lavage (BAL), so as to provide theoretical guidance for the clinical treatment of pulmonary infection."	( Effect of Carbon Fiber Nanotubes Tracheotomy Under Swallowing Training Combined with Bronchoscopic Alveolar Lavage. Gong, F; Li, F, 2022)	0.72
"To explore the effect of probiotics combined with prebiotics on clinical hypothyroidism during pregnancy combined with small intestinal bacterial overgrowth."	( Efficacy evaluation of probiotics combined with prebiotics in patients with clinical hypothyroidism complicated with small intestinal bacterial overgrowth during the second trimester of pregnancy. Ban, Y; Cai, Y; Hao, Y; Li, J; Ouyang, Q; Sun, Z; Wang, M; Wang, W; Wu, B; Xu, Y; Zhang, M, 2022)	0.72
" (2) SIBO-positive patients in the clinical hypothyroidism group during pregnancy (n=112) were treated with probiotics combined with prebiotics based on conventional levothyroxine sodium tablets treatment."	( Efficacy evaluation of probiotics combined with prebiotics in patients with clinical hypothyroidism complicated with small intestinal bacterial overgrowth during the second trimester of pregnancy. Ban, Y; Cai, Y; Hao, Y; Li, J; Ouyang, Q; Sun, Z; Wang, M; Wang, W; Wu, B; Xu, Y; Zhang, M, 2022)	0.72
" (4) After 21 days of probiotics combined with prebiotics, the incidence of pure methane positivity in the methane-hydrogen breath test in the G21 group was significantly reduced, and the average abundance of hydrogen and methane at each time point in the G21 group was lower than that in the G0 group."	( Efficacy evaluation of probiotics combined with prebiotics in patients with clinical hypothyroidism complicated with small intestinal bacterial overgrowth during the second trimester of pregnancy. Ban, Y; Cai, Y; Hao, Y; Li, J; Ouyang, Q; Sun, Z; Wang, M; Wang, W; Wu, B; Xu, Y; Zhang, M, 2022)	0.95
"Probiotics combined with prebiotics are effective in the treatment of pregnant patients with clinical hypothyroidism complicated with SIBO, providing a new idea to treat pregnant patients with clinical hypothyroidism complicated with SIBO."	( Efficacy evaluation of probiotics combined with prebiotics in patients with clinical hypothyroidism complicated with small intestinal bacterial overgrowth during the second trimester of pregnancy. Ban, Y; Cai, Y; Hao, Y; Li, J; Ouyang, Q; Sun, Z; Wang, M; Wang, W; Wu, B; Xu, Y; Zhang, M, 2022)	0.72

Bioavailability

MFCs have been powered by gas fuels, such as methane. Their limited performance is still challenged by the low solubility and bioavailability of gases. Triarylmethanes series have been synthesized by Friedel-Crafts hydroxyalkylation.

Excerpt	Reference	Relevance
" This low absorption rate could result from diffusion limitation to absorption or countercurrent exchange."	( Quantitation of countercurrent exchange during passive absorption from the dog small intestine: evidence for marked species differences in the efficiency of exchange. Bond, JH; Levitt, DG; Levitt, MD, 1977)	0.26
"To determine whether the acidifying effect of malabsorbed carbohydrate on fecal pH differed between methane-excreting and nonexcreting individuals, we administered the poorly absorbed disaccharide lactulose to five CH4 excretors and six CH4 nonexcretors."	( Nonabsorbed carbohydrate: effect on fecal pH in methane-excreting and nonexcreting individuals. Flick, JA; Perman, JA, 1989)	0.75
" The observed absorption rate of the unbound gases was from two to four times greater than would have been predicted had their entire uptake been accounted for by equilibration with F(co)."	( Use of inert gases and carbon monoxide to study the possible influence of countercurrent exchange on passive absorption from the small bowel. Bond, JH; Levitt, DG; Levitt, MD, 1974)	0.25
" Our results suggest that increasing the bioavailability of Fe(III) by adding suitable ligands provides a potential alternative to oxygen addition for the bioremediation of petroleum-contaminated aquifers."	( Stimulated anoxic biodegradation of aromatic hydrocarbons using Fe(III) ligands. Chapelle, FH; Lovley, DR; Woodward, JC, 1994)	0.29
" In principle, these surfactants could be used to simultaneously increase the bioavailability of subsurface contaminants while serving as the carbon and electron source for microbial reductive dechlorination."	( Development of hexachlorobenzene-dechlorinating mixed cultures using polysorbate surfactants as a carbon source. Pavlostathis, SG; Yeh, DH, 2001)	0.31
" In the well-performing digester, considerable amounts of long-chain fatty acids already floated on top of the digester after 20 hours without mixing, a phenomenon which may have affected their bioavailability and toxicity."	( Characterisation and anaerobic batch degradation of materials accumulating in anaerobic digesters treating poultry slaughterhouse waste. Einola, J; Rintala, J; Salminen, E, 2001)	0.31
" In this laboratory microcosm study, TCDD bioavailability was evaluated under five reduction/oxidation (redox) conditions including aerobic biodegradation, aerobic cometabolism, methanogenesis, iron reduction, and reductive dechlorination."	( Evaluation of TCDD biodegradability under different redox conditions. Chen, SC; Kao, CM; Liu, JK; Wu, MJ, 2001)	0.31
" The bioavailability of these essential metals in anaerobic batch reactors was dramatically increased by the addition of yeast extract."	( Effect of yeast extract on speciation and bioavailability of nickel and cobalt in anaerobic bioreactors. Gonzalez-Gil, G; Jansen, S; van Leeuwen, HP; Zandvoort, MH, 2003)	0.32
" Compound 42 was reasonably well absorbed in mice after oral administration."	( Synthesis and evaluation of 6-methylene-bridged uracil derivatives. Part 1: discovery of novel orally active inhibitors of human thymidine phosphorylase. Asao, T; Emura, T; Fukushima, M; Kazuno, H; Suzuki, N; Tada, Y; Wierzba, K; Yamada, Y; Yamashita, J; Yano, S, 2004)	0.32
" The proposed method is simple, with low instrumentation requirements, suitable for quality control application, bioavailability and bioequivalency studies."	( Spectrofluorimetric determination of drugs containing active methylene group using N1-methyl nicotinamide chloride as a fluorigenic agent. El Barbary, RA; El Dawya, MA; Mabrouk, MM, 2006)	0.33
" We hypothesize that ferric iron minerals with low bioavailability might have served as electron acceptors for Geobacter spp."	( Identification of acetate-assimilating microorganisms under methanogenic conditions in anoxic rice field soil by comparative stable isotope probing of RNA. Conrad, R; Friedrich, MW; Hori, T; Igarashi, Y; Noll, M, 2007)	0.34
" Results also indicated that the assumed risks of estrogenic hormones in the environment might be over-estimated due to the soil's humic substances, which can immobilize majority of estrogenic hormones, and thereby reduce their bioavailability and toxicity."	( Persistence and fate of 17beta-estradiol and testosterone in agricultural soils. Casey, FX; Fan, Z; Hakk, H; Larsen, GL, 2007)	0.34
"9, which showed less bioavailability (BA) of EPO."	( Effect of fiber length of carbon nanotubes on the absorption of erythropoietin from rat small intestine. Hirako, N; Ito, Y; Sugioka, N; Takada, K; Venkatesan, N, 2007)	0.34
" These differences may be related to differences in the gas exchange rates as well as in changes in the bioavailability of the contaminant in different analyses."	( Degradation rates of aged petroleum hydrocarbons are likely to be mass transfer dependent in the field. Björklöf, K; Jørgensen, K; Sainio, P; Salminen, J, 2008)	0.35
"This report describes an investigation into the bioavailability and fate of trace metals and their subsequent impact on important soil microbiological functions such as nitrification, denitrification and methane oxidation in low and high Cu containing soils in the presence and absence of residual organic matter from sewage sludge additions made 10 years earlier."	( Impact of sewage sludge applications on the biogeochemistry of soils. Devaney, D; Godley, AR; Hodson, ME; Purdy, K; Yamulki, S, 2008)	0.53
" This suggests that the often acclaimed effect of MCNPs on organic pollutant binding and bioavailability will likely be below the level of detection if natural BCNPs are present, even if binding to MCNP is one to two orders of magnitude stronger than to BCNPs."	( Comparison of manufactured and black carbon nanoparticle concentrations in aquatic sediments. Koelmans, AA; Nowack, B; Wiesner, MR, 2009)	0.35
" These compounds are poorly absorbed during digestion so that the bioactive compound or metabolites are excreted."	( Effect of antimicrobial compounds tylosin and chlortetracycline during batch anaerobic swine manure digestion. Clay, SA; Porath, LR; Spellman, GM; Stone, JJ; Wong, KL; Zhu, Z, 2009)	0.35
" Functionalized SWNTs with significantly reduced toxicity have been employed as carriers to deliver various anticancer drugs, proteins and nucleic acids to the diseased tissues specifically and maximize the bioavailability of the drugs by improving solubility and increasing circulation time."	( A review on biomedical applications of single-walled carbon nanotubes. Chen, B; Liang, F, 2010)	0.36
"The dispersion of multiwalled carbon nanotubes (MWNTs) by natural organic matter (NOM) may influence the bioavailability of MWNTs and other contaminants."	( Influence of multiwalled carbon nanotubes dispersed in natural organic matter on speciation and bioavailability of copper. Cho, JW; Edgington, AJ; Kim, KT; Kim, SD; Klaine, SJ, 2009)	0.35
"Carbonaceous sorbents including black carbon (BC) and carbon nanotubes have attracted research attention around the world because of their effects on bioavailability of hydrophobic organic compounds (HOCs) in sediments and soils."	( Bioavailability of adsorbed phenanthrene by black carbon and multi-walled carbon nanotubes to Agrobacterium. Feng, C; Li, Y; Xia, X; Zhou, Z, 2010)	0.36
" Specific absorption rate (SAR) is known to rise with the electrical conductivity of tissue."	( Radiofrequency interaction with conductive colloids: permittivity and electrical conductivity of single-wall carbon nanotubes in saline. Gach, HM; Nair, T, 2010)	0.36
"Reduction of short-chain poorly absorbed carbohydrates (FODMAPs) in the diet reduces symptoms of irritable bowel syndrome (IBS)."	( Manipulation of dietary short chain carbohydrates alters the pattern of gas production and genesis of symptoms in irritable bowel syndrome. Barrett, JS; Biesiekierski, JR; Gibson, PR; Irving, PM; Mitchell, SB; Muir, JG; Ong, DK; Shepherd, SJ; Smith, S, 2010)	0.36
" Carbon nanotubes (CNTs) as strong adsorbents could influence the fate, transport, and bioavailability of DPEs in the environment."	( Adsorption of dialkyl phthalate esters on carbon nanotubes. Sun, K; Wang, F; Xing, B; Yao, J, 2010)	0.36
" This may influence bioavailability and fate of both the nanoparticles and the other contaminants."	( Acute toxicity of a mixture of copper and single-walled carbon nanotubes to Daphnia magna. Ke, PC; Kim, KT; Kim, SD; Klaine, SJ; Lin, S, 2010)	0.36
" However, the aqueous stability and bioavailability of these nanotubes may be influenced by the water quality parameters such as ionic strength, pH, and natural organic matter (NOM)."	( The influence of natural organic matter on the toxicity of multiwalled carbon nanotubes. Alloy, MM; Edgington, AJ; Klaine, SJ; Mao, J; Rao, AM; Reppert, J; Roberts, AP; Taylor, LM, 2010)	0.36
" Bioactive carriers can protect the bioactives from degradation, resulting in increased bioavailability of protein."	( Carrier mediated protein and peptide stabilization. Gajbhiye, V; Jain, NK; Sharma, R; Tiwari, AK, 2010)	0.36
" The pre-treatments produced notable improvements in organic matter solubilization, but had different effects on the anaerobic bioavailability of the treated substrates."	( Effects of thermal pre-treatments on solid slaughterhouse waste methane potential. Fernández, B; Flotats, X; Rodríguez-Abalde, A; Silvestre, G, 2011)	0.61
"8 times) of the trace metals than the mesophilic system, indicating greater assimilation by biomass and/or less bioavailability under thermophilic conditions."	( Minimum requirements for trace metals (iron, nickel, cobalt, and zinc) in thermophilic and mesophilic methane fermentation from glucose. Shimada, K; Speece, RE; Takashima, M, 2011)	0.58
" Similar to black carbon (BC) particles, SWCNT have a high affinity for hydrophobic organic contaminants (HOCs) and therefore the presence of SWCNT in sediment may lead to altered bioavailability of HOCs."	( Influence of single-walled carbon nanotubes on microbial availability of phenanthrene in sediment. Chen, YX; Cui, XY; Gan, J; Jia, F, 2011)	0.37
"High adsorption capacity of carbon nanotubes (CNTs) may greatly determine the bioavailability and mobility of organic contaminants."	( Influence of anionic, cationic and nonionic surfactants on adsorption and desorption of oxytetracycline by ultrasonically treated and non-treated multiwalled carbon nanotubes. Oleszczuk, P; Xing, B, 2011)	0.37
" However, the concentration-dependent and potential effects of CMs on the decrease in HOC bioavailability are not well understood."	( Influences of multiwalled carbon nanotubes and plant residue chars on bioaccumulation of polycyclic aromatic hydrocarbons by Chironomus plumosus larvae in sediment. Shen, M; Wang, F; Xia, X; Zhang, P; Zhao, X, 2012)	0.38
"The biodegradability and bioavailability of hydrolysis-limited substrates under anaerobic (and aerobic) conditions can be represented by two key parameters--degradability (f(d)), or the percentage that can be effectively be destroyed during digestion, and first order hydrolysis coefficient (k(hyd)), or the speed at which material breaks down."	( Assessing the role of biochemical methane potential tests in determining anaerobic degradability rate and extent. Batstone, DJ; Ge, H; Jensen, PD, 2011)	0.65
"Fibrous ordered mesoporous carbon (FOMC) was developed as a new drug delivery system for loading an insoluble drug, designed to be orally administered, and then to enhance the drug loading capacity, improve the dissolution rate, enhance the oral bioavailability and reduce the gastric damage."	( Inclusion of celecoxib into fibrous ordered mesoporous carbon for enhanced oral bioavailability and reduced gastric irritancy. Jiang, H; Jiang, T; Sun, C; Wang, S; Wu, C; Zhang, J; Zhao, P; Zhi, Z, 2012)	0.38
" Herein, the influence of ultrasonication upon the bioavailability of metallic impurities in CNTs was investigated."	( Bioavailability of metallic impurities in carbon nanotubes is greatly enhanced by ultrasonication. Ambrosi, A; Pumera, M; Toh, RJ, 2012)	0.38
" The inhibitory effects are supposed to be owing to limited activities of soil endogenous microorganisms, potential toxicities of CNTs to the microorganisms, and reduced bioavailability of 2,4-DCP in the presence of CNTs, even though a desorption hysteresis of 2,4-DCP on CNTs was not observed."	( Inhibitory effects of carbon nanotubes on the degradation of 14C-2,4-dichlorophenol in soil. Feng, J; Guo, H; Ji, R; Jiang, B; Shan, J; Wang, L; Zhou, W, 2013)	0.39
" In addition, we utilized this technique to qualitatively characterize SWNT samples before and after ecotoxicity, bioavailability and fate studies in the aquatic environment."	( Characterization and quantitative analysis of single-walled carbon nanotubes in the aquatic environment using near-infrared fluorescence spectroscopy. Chandler, GT; Ferguson, PL; Parks, AN; Schierz, A; Washburn, KM, 2012)	0.38
"Data on the bioavailability and toxicity of carbon nanotubes (CNTs) in the environment, and, in particular, on their interactions with vascular plants, are limited."	( Multiwalled carbon nanotubes in alfalfa and wheat: toxicology and uptake. Church, TL; Harris, AT; Johnson, E; Miralles, P, 2012)	0.38
" However, their wider use has been hindered by their poor bioavailability and the uncontrollable sites of action in vivo."	( Irradiation-mediated carbon nanotubes' use in cancer therapy. Chen, XQ; Huang, DS; Jiang, XY; Jiao, FP; Peng, ZG; Yu, JG; Zeng, DM, )	0.13
"Carbon nanotubes have attracted attention around the world because of their high sorption capacity for hydrophobic organic compounds (HOCs); however, the bioavailability of HOCs sorbed on carbon nanotubes to bacteria is not well known."	( Mineralization of phenanthrene sorbed on multiwalled carbon nanotubes. Huang, J; Wang, R; Xia, N; Xia, X; Zhou, C, 2013)	0.39
" However, nanosilver inhibits methanogenesis and is more toxic than its counterpart, likely due to slow and long-term Ag(+) release from nanosilver dissolution yielding more bioavailability in landfill leachates."	( A comparison of nanosilver and silver ion effects on bioreactor landfill operations and methanogenic population dynamics. Gajaraj, S; Hu, Z; Wall, JD; Yang, Y, 2013)	0.39
"6 mL methaneg(-1) total lignin in OPEFB, and at the same time improve the bioavailability of lignocellulosic matters for further enzymatic hydrolysis."	( Characterization of anaerobic consortia coupled lignin depolymerization with biomethane generation. He, J; Wu, YR, 2013)	1.13
" This study provides data regarding useful techniques that can be used in risk assessment to assess the bioavailability of PAHs in soil."	( Comparative studies of multi-walled carbon nanotubes (MWNTs) and octadecyl (C18) as sorbents in passive sampling devices for biomimetic uptake of polycyclic aromatic hydrocarbons (PAHs) from soils. Anderson, TA; Cañas-Carrell, JE; Green, MJ; Li, S; Maul, JD; Shrestha, B, 2013)	0.39
" A study of CNT impacts on the bioavailability of other conventional contaminants in a terrestrial system is particularly rare."	( Mobility of polyaromatic hydrocarbons (PAHs) in soil in the presence of carbon nanotubes. Anderson, TA; Cañas-Carrell, JE; Das, S; Green, MJ; Li, S; Ramkumar, SS; Shrestha, B; Turaga, U, 2013)	0.39
" This can be explained by the higher bioavailability of the synthetic N fertilisers in non-organic farming systems while the necessary mineralisation of the N sources under organic management leads to lower and retarded availability."	( Greenhouse gas fluxes from agricultural soils under organic and non-organic management--a global meta-analysis. Flieβbach, A; Gattinger, A; Mäder, P; Muller, A; Niggli, U; Ruser, R; Skinner, C; Stolze, M, 2014)	0.4
" This study indicated that MWCNTs facilitated the bioavailability of NP to the earthworm and increased the harmful effects of NP."	( Toxicological effects of multi-walled carbon nanotubes adsorbed with nonylphenol on earthworm Eisenia fetida. Cai, Y; Cui, Y; Hu, C; Li, M; Wang, W, 2013)	0.39
" In anoxic methane- and sulphide-rich environments, microbes may have unique adaptations for metal acquisition and utilization because of decreased bioavailability as a result of metal sulphide precipitation."	( Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulphidic marine sediments. Chourey, K; Dawson, KS; Glass, JB; Hettich, RL; Orphan, VJ; Pan, C; Steele, JA; Sun, S; Yu, H, 2014)	1.02
"The impact of suspended particles on the bioavailability of pollutants has long been a controversial topic."	( Enhanced bioaccumulation of pentachlorophenol in carp in the presence of multi-walled carbon nanotubes. Ruan, Y; Sun, H; Yu, L; Zhang, Y; Zhang, Z; Zhu, H, 2014)	0.4
" The purpose of the present research was to determine the ability of nano-aluminum oxide (Al(2)O(3)) and multiwalled carbon nanotubes (MWCNTs) to adsorb the munitions constituents cyclotrimethylenetrinitramine (RDX) and tungsten (W) from aqueous solution as a first step in determining the long-term exposure, transport, and bioavailability implications of such interactions."	( Influence of carbon and metal oxide nanomaterials on aqueous concentrations of the munition constituents cyclotrimethylenetrinitramine (RDX) and tungsten. Alvarez, PJ; Bednar, AJ; Brame, JA; Kennedy, AJ; Lounds, CD; Scott, AM; Stanley, JK, 2014)	0.4
"Anaerobic digestion of waste activated sludge usually requires pretreatment procedure to improve the bioavailability of sludge, which involves considerable energy and high expenditures."	( Enhanced high-solids anaerobic digestion of waste activated sludge by the addition of scrap iron. Feng, Y; Quan, X; Xu, Z; Yu, Q; Zhang, Y, 2014)	0.4
"In this study, a novel carbon nanopowder (CNP) drug carrier was developed to improve the oral bioavailability of apigenin (AP)."	( Enhanced bioavailability of apigenin via preparation of a carbon nanopowder solid dispersion. Cheng, XD; Ding, SM; Jia, XB; Jiang, J; Song, J; Zhang, ZH, 2014)	0.4
"Carbon nanotubes (CNT) are strong sorbents for organic micropollutants, but changing environmental conditions may alter the distribution and bioavailability of the sorbed substances."	( Sorption kinetics and equilibrium of the herbicide diuron to carbon nanotubes or soot in absence and presence of algae. Bucheli, TD; Camenzuli, L; Knauer, K; Magrez, A; Nowack, B; Schwab, F; Sigg, L, 2014)	0.4
" Results demonstrated these PU-MIFs hold low water absorption rate and superior biocompatibility, which was highly demanded for maintaining cell viability."	( Isolation of viable type I and II methanotrophs using cell-imprinted polyurethane thin films. Hu, Y; Lu, Y; Ren, X; Xie, L, 2014)	0.4
" Although CNTs have a high adsorption capacity for PAHs and these contaminants can co-occur in the environment, few studies have characterized the bioavailability of CNT-adsorbed PAHs to fish."	( Influence of carbon nanotubes on the bioavailability of fluoranthene. Apul, OG; Karanfil, T; Klaine, SJ; Linard, EN; van den Hurk, P, 2015)	0.42
" Our results indicate that CNTs can enhance or inhibit biodegradation through a balance of two effects: the toxic effects on microbial activity and the effects of the changing bioavailability that result from adsorption and desorption."	( Effects of carbon nanotubes on atrazine biodegradation by Arthrobacter sp. Li, M; Liu, N; Xu, X; Zhang, C, 2015)	0.42
" The use of functionalized carbon nanotubes (CNTs) as chemotherapeutic drug delivery systems is a promising strategy to overcome such limitations due to their ability to enhance cellular internalization of poorly permeable drugs and thus increase the drug bioavailability at the diseased site, compared to the free drug."	( Diameter-dependent release of a cisplatin pro-drug from small and large functionalized carbon nanotubes. Ang, WH; Bianco, A; Chin, CF; Li, J; Ménard-Moyon, C; Muzi, L; Pastorin, G; Risuleo, G; Russier, J, 2015)	0.42
"Carbon nanotubes (CNTs) may affect bioavailability and toxicity of organic contaminants due to their adsorption properties."	( The influence of multiwalled carbon nanotubes on polycyclic aromatic hydrocarbon (PAH) bioavailability and toxicity to soil microbial communities in alfalfa rhizosphere. Acosta-Martinez, V; Anderson, TA; Cañas-Carrell, JE; Payton, P; Shrestha, B, 2015)	0.42
"Adsorption/desorption and desorption hysteresis of methamphetamine (MMA) on carbon nanotubes (CNTs) as well as bioavailability of MMA were studied in simulated gastrointestinal fluids and background fluids."	( Adsorption/desorption and bioavailability of methamphetamine in simulated gastrointestinal fluids under the presence of multiwalled carbon nanotubes. Wang, L; Xiong, Z; Zhang, J; Zhang, K, 2015)	0.42
" On the other hand, bioavailability of functionalized CNTs was improved leading to more complex both mechanisms of uptake and cytotoxic effects."	( Interactions of carbon nanotubes with aqueous/aquatic media containing organic/inorganic contaminants and selected organisms of aquatic ecosystems--A review. Boncel, S; Czupioł, J; Krzyżewska, I; Kyzioł-Komosińska, J, 2015)	0.42
" But potential clinical implementations of CNTs are still hampered by distinctive barriers such as poor bioavailability and intrinsic toxicity, which pose difficulties in tumor targeting and penetration as well as in improving therapeutic outcome."	( Carbon Nanomaterials for Drug Delivery and Cancer Therapy. Chakrabarti, M; Kiseleva, R; Ray, SK; Vertegel, A, 2015)	0.42
" Pasteurised and unpasteurised offals sampled from cattle, pig and chicken slaughterhouses were characterised and their specific methane yields (SMYs) and their bioavailability was assessed."	( What is the effect of mandatory pasteurisation on the biogas transformation of solid slaughterhouse wastes? Power, N; Ware, A, 2016)	0.64
" This study explored the feasibility of comprehensive utilization of C, N and P resources in swine manure (SM) through short-term dry anaerobic digestion (AD) followed by dry ammonia stripping, aiming at achieving (1) effective total volatile fatty acids (VFAs) production and separation; (2) ammonia recovery from the digestate; and (3) preservation of high P bioavailability in the solid residue for further applications."	( Volatile fatty acids (VFAs) production from swine manure through short-term dry anaerobic digestion and its separation from nitrogen and phosphorus resources in the digestate. Cai, W; Feng, C; Huang, W; Lei, Z; Yuan, T; Zhang, Z; Zhao, Z, 2016)	0.43
" The acute toxicity of copper decreased significantly with a decrease in copper bioavailability resulting from MWCNT exposure."	( Multi-walled carbon nanotubes (MWCNTs) lead to growth retardation, antioxidant depletion, and activation of the ERK signaling pathway but decrease copper bioavailability in the monogonont rotifer (Brachionus koreanus). Hwang, DS; Kang, HM; Kim, DH; Lee, JS; Lee, JW; Lee, SJ; Won, EJ, 2016)	0.43
" In conclusion, pulmonary exposure to MWCNT leads to elevated MMP-9 levels and MMP-9-dependent generation of circulating bioactive factors that promote endothelial dysfunction and decreased NO bioavailability via interaction with vascular CD36."	( MMP-9-Dependent Serum-Borne Bioactivity Caused by Multiwalled Carbon Nanotube Exposure Induces Vascular Dysfunction via the CD36 Scavenger Receptor. Aragon, M; Bishop, L; Campen, MJ; Erdely, A; Eye, T; Hall, P; Kodali, V; Liu, J; Ottens, AK; Salmen, R; Stafflinger, JE; Weaver, J; Zeidler-Erdely, P, 2016)	0.43
"The bioavailability of organic contaminants adsorbed to carbon nanotubes (CNTs) remains unclear, especially in complex natural freshwaters containing natural organic matter (NOM)."	( Carbon Nanotube Properties Influence Adsorption of Phenanthrene and Subsequent Bioavailability and Toxicity to Pseudokirchneriella subcapitata. Altin, D; Booth, AM; Glomstad, B; Jenssen, BM; Liu, J; Sørensen, L, 2016)	0.43
" S absorbed C from the atmosphere with a mean absorption rate of -5."	( Carbon dioxide and methane fluxes from feeding and no-feeding mariculture ponds. Chen, Y; Dong, S; Gao, Q; Tian, X; Wang, F, 2016)	0.76
" We also explore its potential applications, how mbs may alter the bioavailability of multiple metals, and the many roles mbs may play in the physiology of methanotrophs."	( Methanobactin and the Link between Copper and Bacterial Methane Oxidation. Dennison, C; DiSpirito, AA; Gallagher, WH; Murrell, JC; Semrau, JD; Vuilleumier, S, 2016)	0.68
" Overall, the addition of BC offered the best results and could be effective in both Pb and Cu immobilization thereby reducing their mobility and bioavailability in the co-contaminated soil."	( Immobilization of Pb and Cu in polluted soil by superphosphate, multi-walled carbon nanotube, rice straw and its derived biochar. Ashraf, M; Bashir, S; Chhajro, MA; Fu, Q; Hu, H; Huang, G; Imtiaz, M; Liu, Y; Rizwan, MS; Zafar, M; Zhu, J, 2016)	0.43
"Cytochrome P450 3A4 (CYP3A4) is the dominant P450 enzyme involved in human drug metabolism, and its inhibition may result in adverse interactions or, conversely, favorably reduce the systemic elimination rates of poorly bioavailable drugs."	( N-Heterocyclic Carbene Capture by Cytochrome P450 3A4. Hackett, JC; Jennings, GK; Lyons, CE; Ritchie, CM; Shock, LS, 2016)	0.43
" Multiwalled carbon nanotubes are known to have a high adsorptive capacity for organic contaminants, leading to potential uses in water remediation; however, there is concern that co-exposure with MWCNTs may alter the bioavailability of organic compounds."	( Effects of multiwalled carbon nanotubes on the bioavailability and toxicity of diphenhydramine to Pimephales promelas in sediment exposures. Black, MC; Henderson, WM; Myer, MH, 2017)	0.46
"Studies investigating the effect of carbon nanotubes (CNTs) on the bioavailability and toxicity of hydrophobic organic compounds in aquatic environments have generated contradictory results, and the influence of different CNT properties remains unknown."	( Phenanthrene Bioavailability and Toxicity to Daphnia magna in the Presence of Carbon Nanotubes with Different Physicochemical Properties. Altin, D; Booth, AM; Glomstad, B; Jenssen, BM; Liu, J; Zindler, F, 2016)	0.43
" The objective of this study was to examine the bioavailability and bioactivity of ethinyl estradiol (EE2) sorbed onto SWCNTs in a fish gastrointestinal (GI) tract."	( Influence of the Gastrointestinal Environment on the Bioavailability of Ethinyl Estradiol Sorbed to Single-Walled Carbon Nanotubes. Bisesi, JH; Castillo, B; Crosby, H; Das, D; Denslow, ND; Ferguson, PL; Lavelle, CM; Liu, K; Ngo, T; Plazas-Tuttle, J; Robinson, SE; Sabo-Attwood, T; Saleh, NB, 2017)	0.46
" These carbonaceous materials may change the bioavailability of pollutants in soil."	( Effects of the amendment of biochars and carbon nanotubes on the bioavailability of hexabromocyclododecanes (HBCDs) in soil to ecologically different species of earthworms. Li, B; Sun, H; Xu, J; Zhu, H, 2017)	0.46
" The results indicated that the addition of MWCNTs to sediment could reduce the content of HCHs and DDTs released from sediments, reducing bioavailability of HCHs and DDTs and minimizing risks to ecosystem and human."	( Sequestration of HCHs and DDTs in sediments in Dongting Lake of China with multiwalled carbon nanotubes: implication for in situ sequestration. Gong, J; Guo, Y; Lai, C; Su, C; Xu, P; Yang, C; Zeng, G, 2017)	0.46
" However, whether these interactions may affect their bioavailability in aquatic organisms is the subject of considerable debate."	( Influence of multi-walled carbon nanotubes on the effects of roxithromycin in crucian carp (Carassius auratus) in the presence of natural organic matter. Lu, G; Ma, B; Sun, H; Yan, Z, 2017)	0.46
" In this study, changes in the methane production and bioavailability of heavy metals in the anaerobic digestion of diluted pig manure were evaluated using single and combined action of microscale zero-valence iron (ZVI) and magnetite."	( Effect of microscale ZVI/magnetite on methane production and bioavailability of heavy metals during anaerobic digestion of diluted pig manure. Cheng, B; Li, XJ; Liang, YG; Zhang, J; Zhang, LG, 2017)	1.01
"To our knowledge, this is the first report on exploring the interactive effects of various biochars (BCs) and nanomaterials (NMs) on plant growth and bioavailability of trace elements in soil."	( Potential toxicity of trace elements and nanomaterials to Chinese cabbage in arsenic- and lead-contaminated soil amended with biochars. Awad, YM; Lee, SS; Niazi, NK; Ok, YS; Rinklebe, J; Rizwan, M; Vithanage, M; Yang, JE, 2019)	0.51
"Despite carbon nanomaterials' (CNMs) potential to alter the bioavailability of adsorbed contaminants, information characterizing the relationship between adsorption behavior and bioavailability of CNM-adsorbed contaminants is still limited."	( Bioavailability of Carbon Nanomaterial-Adsorbed Polycyclic Aromatic Hydrocarbons to Pimphales promelas: Influence of Adsorbate Molecular Size and Configuration. Apul, OG; Karanfil, T; Klaine, SJ; Linard, EN; van den Hurk, P, 2017)	0.46
"The wide application of nanoparticles will lead its release into the aquatic environment, which may alter the bioavailability and toxicity of other contaminants to aquatic organisms."	( Effect of single-wall carbon nanotubes on bioconcentration and toxicity of perfluorooctane sulfonate in zebrafish (Danio rerio). He, Y; Li, Y; Liu, M; Men, B; Wang, D; Xu, H, 2017)	0.46
", pharmaceuticals and pesticides) on carbonaceous materials plays an important role in governing the fate, transport and bioavailability of IOCs."	( Sorption of ionizable and ionic organic compounds to biochar, activated carbon and other carbonaceous materials. Hofmann, T; Kah, M; Sigmund, G; Xiao, F, 2017)	0.46
" Nanocarriers improve the bioavailability and therapeutic efficiency of antitumor drugs, while providing preferential accumulation at the target site."	( Effective use of nanocarriers as drug delivery systems for the treatment of selected tumors. Aman, W; Din, FU; Mustapha, O; Qureshi, OS; Shafique, S; Ullah, I; Zeb, A, 2017)	0.46
" These findings highlight the influence of carbon nanomaterials on the bioavailability of co-contaminants in organisms."	( Influence of multiwall carbon nanotubes on the toxicity of 17β-estradiol in the early life stages of zebrafish. Liu, Y; Lu, G; Sun, H; Yan, Z, 2018)	0.48
" The challenges are to increase the therapeutic efficiency, the bioavailability and decreasing the unfavourable side effects of Levodopa drug."	( Nanocarrier for levodopa Parkinson therapeutic drug; comprehensive benserazide analysis. Etminan, N; Rahmanifar, E; Yoosefian, M, 2018)	0.48
" In vivo pharmacokinetic study displayed the relative bioavailability of the gastro-floating MWCNT@LC-MIP was 578."	( Floating liquid crystalline molecularly imprinted polymer coated carbon nanotubes for levofloxacin delivery. Huang, YP; Liu, ZS; Tan, XX; Zhang, LP, 2018)	0.48
"Compared to the total chemical concentration, bioavailability is a better measurement of risks of hydrophobic organic contaminants (HOCs) to biota in contaminated soil or sediment."	( Evaluation of different methods for assessing bioavailability of DDT residues during soil remediation. Gan, J; Schlenk, D; Taylor, A; Wang, J; Xu, C, 2018)	0.48
" The decrease of lead toxicity was related with the reduced bioavailability of free metal form (Pb2+) caused by greater adsorption of lead onto the MWCNTs."	( Effects of functionalized multi-walled carbon nanotubes on toxicity and bioaccumulation of lead in Daphnia magna. Hwang, YS; Jang, MH, 2018)	0.48
" Impaired •NO production, signaling, and bioavailability is linked to a variety of cardiovascular diseases in which TSP-1/CD47 may play an important role."	( Microvascular Dysfunction Following Multiwalled Carbon Nanotube Exposure Is Mediated by Thrombospondin-1 Receptor CD47. Kelley, EE; Mandler, WK; Nurkiewicz, TR; Olfert, IM; Porter, DW, 2018)	0.48
" The relative abundances of phosphate-solubilizing microorganisms increased after exposure to SWCNTs, which was beneficial for phosphorus bioavailability in the soil."	( Ecological Effects of Single-Walled Carbon Nanotubes on Soil Microbial Communities and Soil Fertility. Du, B; Ke, M; Li, X; Lu, T; Pan, X; Qian, H; Qu, Q; Sun, L, 2018)	0.48
" The relative bioavailability of the SWCNT-MIP composites (F %) displayed the highest value of 143."	( Green Synthesis of Carbon Nanotubes-Reinforced Molecularly Imprinted Polymer Composites for Drug Delivery of Fenbufen. Chai, MH; He, W; Huang, YP; Liu, XL; Liu, ZS; Yao, HF, 2018)	0.48
"Studies on the bioavailability of organic contaminants adsorbed to nanomaterials are increasing."	( Accumulation, metabolite and active defence system responses of fluoxetine in zebrafish embryos: Influence of multiwalled carbon nanotubes with different functional groups. Dong, H; Ji, Y; Jiang, R; Liu, J; Lu, G; Sun, H; Yan, Z; Yang, H, 2018)	0.48
" However, up to now only few MFCs have been powered by gas fuels, such as methane, and their limited performance is still challenged by the low solubility and bioavailability of gases."	( Novel Gas Diffusion Cloth Bioanodes for High-Performance Methane-Powered Microbial Fuel Cells. Bai, Y; He, Q; Yang, Z; Yu, L; Zeng, RJ; Zhou, S, 2019)	0.99
"Few studies have focused on the influence of environmental conditions on the bioavailability of pollutants interacted with nanomaterials in organisms."	( Comparison of the accumulation and metabolite of fluoxetine in zebrafish larva under different environmental conditions with or without carbon nanotubes. Bao, X; Ji, Y; Jiang, R; Liu, J; Lu, G; Sun, H; Yan, Z, 2019)	0.51
" Adsorption of BaP to F-MWCNTs could mitigate the bioavailability and toxicity of BaP in biological systems."	( Individual and combined toxicity of carboxylic acid functionalized multi-walled carbon nanotubes and benzo a pyrene in lung adenocarcinoma cells. Khodagholi, F; Mehrabi, Y; Mohammadian, Y; Omidi, M; Peirovi, H; Pourahmad, J; Rafieepour, A; Rezazadeh Azari, M, 2019)	0.51
" Considering the effective role of Klonopin (KNP) in the treatment of epilepsy, KNP quantification in its production process for dose adjustments and checking the purity and also after its usage by patents for bioavailability testing and effectiveness assay is vital."	( Klonopin assay using modified electrode with multiwalled carbon nanotubes and poly melamine nanocomposite. Ghalkhani, M; Khaloo, SS; Mirzaie, RA, 2019)	0.51
" It is scarcely soluble in water; thus, it has a low bioavailability for microorganisms able to degrade it."	( Methane biodegradation and enhanced methane solubilization by the filamentous fungi Fusarium solani. Aroca, G; Guerrero, S; Mau, S; Morales, P; Scott, F; Vergara-Fernández, A; Yañez, L, 2019)	1.96
" Besides, the solubilization of surfactant will promote the solubility of contaminants in sludge, such as organic contaminants and heavy metals, by increasing the bioavailability or desorbing of the sludge."	( Influence of surfactants on anaerobic digestion of waste activated sludge: acid and methane production and pollution removal. Dong, H; Duan, A; He, Q; Liu, Z; Tan, X; Tang, W; Wang, D; Xu, P; Zeng, G; Zhang, C, 2019)	0.74
" The model takes into account the main biochemical and physico-chemical processes affecting TE bioavailability and it is aimed at evaluating the effect that the combination of such processes exerts on the system performance."	( ADM1-based mechanistic model for the role of trace elements in anaerobic digestion processes. Esposito, G; Fermoso, FG; Frunzo, L; Luongo, V; Mattei, MR, 2019)	0.51
" The differences could have resulted from the materials' distinct physical structure and surface composition, which in turn affected their bioavailability in soil."	( Effects of Various Carbon Nanotubes on Soil Bacterial Community Composition and Structure. Chen, W; Tao, S; Wang, X; Werner, D; Wu, F; Yang, Y; You, Y; Zhang, H; Zhang, X, 2019)	0.51
" CNTs have positive or negative effects on the biodegradation of contaminants by affecting the functional microorganisms, enzymes and the bioavailability of pollutants."	( Effects of carbon nanotubes on biodegradation of pollutants: Positive or negative? Gong, J; He, Q; Huang, J; Liu, Y; Liu, Z; Shao, B; Tang, W; Xiao, R; Zeng, G; Zeng, Z; Zhang, W, 2020)	0.56
"Curcumin (Cur) has medicinal properties, undergoes hydrolysis, and has low water solubility that limits its bioavailability and industrial usage."	( Interaction of carbon nanotubes with curcumin: Effect of temperature and pH on simultaneous static and dynamic fluorescence quenching of curcumin using carbon nanotubes. Patra, D; Youssef, L, 2020)	0.56
" Non-symmetrical and symmetrical triarylmethanes series have been synthesized by Friedel-Crafts hydroxyalkylation or directly from bisacodyl respectively followed by a functionalization with PEG fragments in order to increase bioavailability and biological effectiveness."	( Pegylated triarylmethanes: Synthesis, antimicrobial activity, anti-proliferative behavior and in silico studies. Abdmouleh, F; Ali, MB; Arbi, ME; Ferroud, C; Goya-Jorge, E; Guenineche, L; Lagarde, N; Liagre, B; Martin, F; Ricco, C; Riccobono, C; Veitía, MS, 2020)	1.17
" One of the rate-limiting factors for microbial degradation is the bioavailability of coal molecules, especially for anthracite which is more condense and has higher aromaticity compared with low-rank coal."	( The effect of NaOH pretreatment on coal structure and biomethane production. Guo, H; Huang, Z; Li, X; Liang, W; Urynowicz, MA; Zhang, J, 2020)	0.8
"Recent studies investigating the influence of carbon nanotubes (CNTs) on the bioavailability of organic contaminants have mostly focused on single-solute systems; however, a more likely scenario in the natural environment is a multisolute system where chemical interactions at the surface of the CNT may alter the bioavailability of these chemicals."	( Competitive Adsorption of Polycyclic Aromatic Hydrocarbons to Carbon Nanotubes and the Impact on Bioavailability to Fathead Minnow (Pimephales promelas). Karanfil, T; Lee, CM; Linard, EN; van den Hurk, P, 2020)	0.56
" Compared with commercial tablets, the relative bioavailability was 143."	( Molecularly Imprinted Polymers Doped with Carbon Nanotube with Aid of Metal-Organic Gel for Drug Delivery Systems. Chai, MH; Huang, YP; Liu, ZS; Yao, HF; Zhao, L, 2020)	0.56
" This includes quantification of affinities for TrxR, evaluation of their bioavailability and determination of associated cell death process."	( Cyclic (Alkyl)(Amino)Carbene (CAAC) Gold(I) Complexes as Chemotherapeutic Agents. Alexander, K; Bertrand, G; Gianneschi, NC; Melaimi, M; Proetto, MT, 2021)	0.62
" These concentrations of materials increased the reducible fraction of Cd by 9-10% and decreased the oxidizable proportion of Cd by 48-52%, indicating the improvement of Cd bioavailability through converting the oxidizable Cd into reducible form."	( Nanoscale zerovalent iron, carbon nanotubes and biochar facilitated the phytoremediation of cadmium contaminated sediments by changing cadmium fractions, sediments properties and bacterial community structure. Gong, X; Hu, X; Huang, D; Liu, Y; Wu, Z; Xiao, Z; Yang, Y; Zhou, L; Zou, D, 2021)	0.62
" Inductively coupled plasma-mass spectrometry results suggest that the adsorption of Pb on the surface of SWCNTs could attenuate the bioavailability and toxicity of Pb in A549 cells."	( Single-Walled Carbon Nanotubes Attenuate Cytotoxic and Oxidative Stress Response of Pb in Human Lung Epithelial (A549) Cells. Ahamed, M; Akhtar, MJ; Khan, MAM, 2020)	0.56
" Lymphatic absorption has been explored in detail, and studies reveal the improved bioavailability of medicines."	( Lymphatic Drug Transport and Associated Drug Delivery Technologies: A Comprehensive Review. Naha, A; Nayak, UY; Punjabi, MS; Shetty, D, 2021)	0.62
" Therefore, designing and developing new and efficient delivery systems, that can bring drugs to CNS and have good bioavailability in the brain is very important."	( Envisioning the Future of Nanomedicines in Management and Treatment of Neurological Disorders. Ali, J; Baboota, S; Kumar, S; Pottoo, FH; Sharma, S; Singh, P, 2021)	0.62
"Carboxylated multi-walled carbon nanotubes (MWCNT-COOH) exerts strong adsorption capacity for pentachlorophenol (PCP) and they inevitably co-occur in the environment, but few studies have characterized the effects of MWCNT-COOH on the bioavailability of PCP and its oxidative and tissue damages to fish."	( Effects of carboxylated multi-walled carbon nanotubes on bioconcentration of pentachlorophenol and hepatic damages in goldfish. Gao, S; Huang, J; Kan, H; Lu, M; Yan, G; Zhang, H; Zhang, XX; Zhao, F, 2021)	0.62
"Nanoparticles can improve the bioavailability of bioactive compounds."	( Effects of food matrix and probiotics on the bioavailability of curcumin in different nanoformulations. Chen, X; Han, J; Liu, YH; Miao, GP; Ye, T, 2021)	0.62
"Fasting treatment and sugar co-ingestion can significantly enhance the bioavailability of curcumin in Cur-NEs and Cur-SWNTs, respectively."	( Effects of food matrix and probiotics on the bioavailability of curcumin in different nanoformulations. Chen, X; Han, J; Liu, YH; Miao, GP; Ye, T, 2021)	0.62
"Dietary status (including supplementary probiotics) can dramatically influence the bioavailability of curcumin in nanoformulations."	( Effects of food matrix and probiotics on the bioavailability of curcumin in different nanoformulations. Chen, X; Han, J; Liu, YH; Miao, GP; Ye, T, 2021)	0.62
"The present study aimed to develop novel hesperetin-loaded on multiple wall carbon nanotubes (Hst-MWCNTs) to resolve the restricted bioavailability of hesperetin (Hst) and to enhance its preventive effect on cerebral ischemia-reperfusion (I/R)."	( Evaluation of hesperetin-loaded on multiple wall carbon nanotubes on cerebral ischemia/reperfusion injury in rats. Hajizadeh Moghaddam, A; Hasantabar, V; Mokhtari Sangdehi, SR; Shirej Pour, Y, 2021)	0.62
" Microbial biodegradation processes are thought to be effective and environmentally friendly, but the low bioavailability of PAHs and their slow removal rate often limit the application of biodegradation."	( Assembly of fungal mycelium-carbon nanotube composites and their application in pyrene removal. Hu, B; Li, X; Liu, Y; Wu, M; Yi, X; Zhang, Y; Zhou, H, 2021)	0.62
" Resveratrol displays beneficial pharmacological activities; however, low oral bioavailability limits its effectiveness."	( Synthesis, characterization and evaluation of resveratrol-loaded functionalized carbon nanotubes as a novel delivery system in radiation enteropathy. Ali, HE; Radwan, RR, 2021)	0.62
" In the present review, the chemistry and bioavailability of PIP, its molecular targets in BC, and nanotechnological strategies are discussed."	( Piperine for treating breast cancer: A review of molecular mechanisms, combination with anticancer drugs, and nanosystems. Chorilli, M; Quijia, CR, 2022)	0.72
" Further study showed that PBDEs could inhibit the degradation and bioavailability of ES and KW, but it had a greater inhibition on the utilization of KW."	( Understanding the mechanism of polybrominated diphenyl ethers reducing the anaerobic co-digestion efficiency of excess sludge and kitchen waste. Luo, S; Qin, C; Sui, M; Zhang, H; Zhao, J; Zhu, J, 2022)	0.72
" The evaporator had a high solar absorption rate (94."	( Biomass hydrogels combined with carbon nanotubes for water purification via efficient and continuous solar-driven steam generation. An, N; Gao, B; Guo, B; Jiang, Y; Li, Q; Sun, Q; Wang, Z; Zhou, W, 2022)	0.72
", nanoparticle targeted therapeutics can be termed the best among all for their specific cytotoxicity to cancer cells and increased bioavailability to a target site."	( Nanotechnological Approaches for the Treatment of Triple-Negative Breast Cancer: A Comprehensive Review. Bashir, A; Bhat, IA; Guha, L; Pottoo, FH; Rahman, JU, 2022)	0.72
" Their bioavailability increased, especially for aromatics."	( Enhanced biodegradation of oil-contaminated soil oil in shale gas exploitation by biochar immobilization. Deng, Y; Luo, ZY; Ma, L; Ren, H; Wang, B; Wei, Z; Yang, D, 2022)	0.72
" It is well known that iron bioavailability largely influences microbial iron reduction, but the long-term effects of different ferric irons on soil Fe-AOM remain unknown."	( Long-term effects of soluble and insoluble ferric irons on anaerobic oxidation of methane in paddy soil. Feng, J; He, Z; Pan, X; Xu, Y; Zhang, D; Zhu, Y, 2023)	1.14
" Mechanistic exploration showed that the adsorption of Cd by PVC-MPs was higher than that of sludge-substrate, which reduced the bioavailability of Cd by anaerobes, as evidenced by the increased anaerobes driven carbon flux from solid-phase to bio-methane during anaerobic digestion."	( Microplastics decrease the toxicity of cadmium to methane production from anaerobic digestion of sewage sludge. Deng, Q; Du, M; Liu, X; Lu, Q; Wang, D; Zhou, W, 2023)	1.34
"The bioavailability and mobility of phenanthrene (Phe) adsorbed by multi-walled carbon nanotubes (MWCNTs) may be substantially influenced by nonionic surfactants used both in the synthesis and dispersion of MWCNTs."	( Adsorption of Phenanthrene on Multi-Walled Carbon Nanotubes in the Presence of Nonionic Surfactants. Cao, H; Sun, H; Wang, C; Zhou, Z, 2023)	0.91
" 3) Regulation of TE bioavailability: characteristics of substrates affect digestion parameters, which disturb the bioavailability TE."	( Trace elements' deficiency in energy production through methanogenesis process: Focus on the characteristics of organic solid wastes. Cai, Y; Chen, S; Liu, J; Meng, X; Wang, S; Wang, Z; Ying, H; Zhao, X; Zheng, Z; Zhuang, W, 2023)	0.91
" The TH process was successful in enhancing the bioavailability of the waste, increasing the concentration of soluble organic matter quantified by chemical oxygen demand of the soluble fraction (CODs), and decreasing the concentration of volatile suspended solids (VSS)."	( Optimization of anaerobic digestion and solubilization of biosludges from the kraft cellulose industry using thermal hydrolysis as pretreatment. Borzacconi, L; Goycoechea, N; López, I, 2023)	0.91
"Microbial Fe (III) reduction generally could outcompete methanogenesis due to its thermodynamic advantage, while the low bioavailability of Fe (III) compounds limits this process in the anaerobic digestion system, which could result in the low recovery of vivianite."	( Biochar promoted microbial iron reduction in competition with methanogenesis in anaerobic digestion. Cheng, Y; Luo, G; Shi, Y; Shi, Z; Zhang, S; Zhang, Y, 2023)	0.91
" The objective of this study was to evaluate the usefulness of less explored fungal strains Trichoderma longibrachiatum (TL) and Pycnoporus sanguineus (PS) in improving hydrolysis and bioavailability of rice straw in anaerobic digestion (AD)."	( Effect of fungal pretreatment by Pycnoporus sanguineus and Trichoderma longibrachiatum on the anaerobic digestion of rice straw. Dhoble, AS; Rani, J, 2023)	0.91

Dosage Studied

NaOCl had negligible effect on methane production with biofilm samples up to 150’mg NaOCl/g VSS. Effect was significant for the bulk liquid samples with noticeable lag period over 300’h even at the dosage of 50’ mg NaOcl/gVSS.

Excerpt	Relevance	Reference
" At a dosage of 1000-fold excess over the 125I-labeled oH, all the preparations tested in this series completely inhibited the specific binding of 125I-labeled oLH to the hormone receptors in rat testis preparations."	( Effect of selective nitration of ovine lutropin on the subunit association and biological activity of the hormone. Liu, WK; Ward, DN, 1976)	0.26
" Paper chromatography of extracts of livers from normal and dosed rats supports the view that GSH is the predominant non-protein thiol present."	( Metabolism of iodomethane in the rat. Johnson, MK, 1966)	0.58
" Inhibition was maintained for long periods by single daily dosing directly into the rumen or by dietary administration."	( Properties of a novel series of inhibitors of rumen methanogenesis; in vitro and in vivo experiments including growth trials on 2,4-bis (trichloromethyl)-benzo [1, 3]dioxin-6-carboxylic acid. Boyle, FT; Davies, A; Nwaonu, HN; Stanier, G, 1982)	0.26
" Known environmental contaminants marginally inhibited methanogenesis and only a coal conversion effluent and phenanthrene, 100 mg L-1, demonstrated statistically significant inhibition of methanogenesis under acute dosing conditions."	( Methanogenesis in freshwater sediments: inherent variability and effects of environmental contaminants. Pedersen, D; Sayler, GS, 1981)	0.26
" Bile acid inhibited methanogenesis in a dose-response fashion in the in vitro 'non-methanogenic' and methanogenic faecal cultures."	( A possible role for bile acid in the control of methanogenesis and the accumulation of hydrogen gas in the human colon. Florin, TH; Jabbar, IA, )	0.13
" Two halomethanes (CCl4 and CHBr3) were classified as 'questionable' mutagens since they did not double the spontaneous value although a dose-response curve was obtained."	( Mutagenic and lethal effects of halogenated methanes in the Ara test of Salmonella typhimurium: quantitative relationship with chemical reactivity. Pueyo, C; Roldán-Arjona, T, 1993)	0.96
" After 4 days of infusion however, and despite repeated pulse dosage of BES, methanogenesis adapted to BES and methane concentration in rumen gases reached 20%."	( Attempts to induce reductive acetogenesis into a sheep rumen. Demeyer, D; Fiedler, D; Immig, I; Mbanzamihigo, L; Van Nevel, C, 1996)	0.51
" Microbial and chemical monitoring of groundwater from 12 vertical wells was used to examine the effects of methane and nutrient (nitrogen and phosphorus) dosing on the methanotrophic populations and on the potential of the subsurface microbial communities to degrade TCE."	( Effects of nutrient dosing on subsurface methanotrophic populations and trichloroethylene degradation. Hazen, TC; Palumbo, AV; Pfiffner, SM; Phelps, TJ, )	0.34
" The oxygen dosing for sulfide oxidation was regulated by using oxidation-reduction potential (ORP) as a controlling parameter."	( ORP-based oxygenation for sulfide control in anaerobic treatment of high-sulfate wastewater. Huang, JC; Khanal, SK, 2003)	0.32
"In this study, oxidation-reduction potential (ORP) was used as a controlling parameter to regulate oxygen dosing to the recycled biogas for online sulfide oxidation in an upflow anaerobic filter (UAF) system."	( Use of ORP (oxidation-reduction potential) to control oxygen dosing for online sulfide oxidation in anaerobic treatment of high sulfate wastewater. Huang, JC; Khanal, SK; Shang, C, 2003)	0.32
" Since a vast amount of organic matters had been released to water after hydrogen fermentation, we externally dosed methanogenic bacteria to the fermented liquor to produce methane."	( Hydrogen production from wastewater sludge using a Clostridium strain. Chang, BV; Chang, CW; Chu, CP; Lee, DJ; Liao, CS; Wang, CC, 2003)	0.51
" In the following stage, the digestion rate of sludge flocculated with T3052 at dosage exceeding 15 g/kg dried solids declined."	( Anaerobic digestion of polyelectrolyte flocculated waste activated sludge. Chang, BV; Chu, CP; Lee, DJ; Liao, CS; Tay, JH; You, CH, 2003)	0.32
" The optimal NaOH dosage was determined to be 45 meq NaOH/L."	( Solubilization of waste activated sludge by alkaline pretreatment and biochemical methane potential (BMP) tests for anaerobic co-digestion of municipal organic waste. Heo, NH; Kang, H; Lee, JS; Park, SC, 2003)	0.54
" Commercial pyrazine standards were purchased, assayed for purity, and tested in dose-response studies on hamster oviducts."	( Pyrazine derivatives in cigarette smoke inhibit hamster oviductal functioning. Arey, J; Riveles, K; Roza, R; Talbot, P, 2004)	0.32
" However, the in situ dosing procedure needs substantially lower amounts of cobalt, while it also gives significantly smaller losses of cobalt with the effluent."	( Stimulation of methanol degradation in UASB reactors: in situ versus pre-loading cobalt on anaerobic granular sludge. Gieteling, J; Lens, PN; Lettinga, G; Zandvoort, MH, 2004)	0.32
" The TPAD system required approximately 180% of the dosage of the mesophilic sludge and thermophilic sludge required approximately 310% of the dosage."	( Laboratory-scale comparison of anaerobic-digestion alternatives. Reusser, S; Zelinka, G, )	0.13
" The cytotoxicity increases by as high as approximately 35% when the dosage of SWNTs was increased by 11."	( Cytotoxicity of carbon nanomaterials: single-wall nanotube, multi-wall nanotube, and fullerene. Guo, X; Jia, G; Pei, R; Wang, H; Wang, X; Yan, L; Yan, T; Zhao, Y, 2005)	0.33
" Anaerobic microcosms, prepared from freshly collected lagoon slurries, were amended with individual antibiotics at 10 mg/L for the initial screening study and at 1, 5, and 25 mg/L for the dose-response study."	( Inhibition of microbial metabolism in anaerobic lagoons by selected sulfonamides, tetracyclines, lincomycin, and tylosin tartrate. Adams, CD; Henny, C; Loftin, KA; Mormile, MR; Surampali, R, 2005)	0.33
" This was restored by dosing FeCl(3) to the reactor."	( Treatment of a high-strength sulphate-rich alkaline leachate using an anaerobic filter. Banks, CJ; Wang, Z, 2007)	0.34
" The amount adsorbed increased with the CNTs dosage; however, the adsorption capacity initially increased with the CNTs dosage (<0."	( Adsorption of reactive dye onto carbon nanotubes: equilibrium, kinetics and thermodynamics. Wu, CH, 2007)	0.34
" Application of the method for the determination of the drug in the dosage form (Feledene capsules and tablets and also piroxicam gel), without any interference, from the excipients, resulted in acceptable deviation from the stated concentrations."	( Electrochemical monitoring of piroxicam in different pharmaceutical forms with multi-walled carbon nanotubes paste electrode. Abbaspour, A; Mirzajani, R, 2007)	0.34
" A five-fold increase in the dosage of IX without change in 8-PN concentration resulted in a significant lower IX recovery and a higher 8-PN recovery."	( Microbial and dietary factors associated with the 8-prenylnaringenin producer phenotype: a dietary intervention trial with fifty healthy post-menopausal Caucasian women. Bolca, S; Bracke, M; De Henauw, S; De Keukeleire, D; Depypere, H; Heyerick, A; Huybrechts, I; Maervoet, V; Possemiers, S; Van de Wiele, T; Verstraete, W; Vervarcke, S, 2007)	0.34
" We performed a dose-response study of fructose absorption in healthy subjects to develop a breath test to distinguish normal from abnormal fructose absorption capacity."	( Ability of the normal human small intestine to absorb fructose: evaluation by breath testing. Anderson, L; Attaluri, A; Rao, SS; Stumbo, P, 2007)	0.34
"Three-point bending test showed that the levels of maximum load of the all experimental groups were lower than that of the control group, however, only those of the 3 Co-60 irradiation groups were significantly lower than that of the control group and that Co-60 radiation lowered the level of maximum load dose-dependently; and that the levels of ultimate strength of all the all experimental groups were lower than that of the control group, however, only those of the 3 Co-60 groups were significantly lower than that of the control group and that the higher the dosage of Co-60 radiation the lower the level of ultimate strength, however, not dose-dependently."	( [Influence of sterilization treatments on continuous carbon-fiber reinforced polyolefin composite]. Chen, AM; Guan, SB; Hou, CL; Wang, JE; Zhang, W, 2007)	0.34
" In the first part of this two-part review we focus on the properties and use of CNTs as building blocks for novel drug delivery systems, dosage forms, and biomedical substrates."	( Carbon nanotubes as functional excipients for nanomedicines: I. Pharmaceutical properties. Bagonluri, M; Foldvari, M, 2008)	0.35
" PMAEMA is an active component of a commercial low dosage hydrate inhibitor (LDHI)."	( Molecular dynamics study of methane hydrate formation at a water/methane interface. Choi, SK; Hawtin, RW; Nakagava, E; Rivero, M; Rodger, PM; Yang, Y; Zhang, J, 2008)	0.64
" Nitrite was continuously dosed in the reactor for 25 days at concentrations of 20-140mgN/L."	( Nitrite effectively inhibits sulfide and methane production in a laboratory scale sewer reactor. Gutierrez, O; Meyer, RL; Mohanakrishnan, J; Yuan, Z, 2008)	0.61
" From day 252 onwards, methanol was dosed to the reactor as co-substrate at a loading rate of 3-6 mmol/L/day to stimulate growth of methylotrophic methanogens."	( Anaerobic methanethiol degradation and methanogenic community analysis in an alkaline (pH 10) biological process for liquefied petroleum gas desulfurization. Bonilla-Salinas, M; Bruning, H; de Bok, FA; Janssen, AJ; Lens, PN; Stams, AJ; van Leerdam, RC, 2008)	0.75
" Biogas production was found to be 35% for maize silage and up to 70% higher for acetate with trace element dosage than in the reference reactor."	( The valuation of malnutrition in the mono-digestion of maize silage by anaerobic batch tests. Haun, E; Hinken, L; Rosenwinkel, KH; Urban, I; Weichgrebe, D, 2008)	0.35
" In both cases the application of microaerobic conditions (that means controlled dosing of small amount of air or oxygen into digester) was an efficient tool to increase the biodegradability of treated material and/or to increase the activity of methanogenic bacteria by removal of their inhibitor."	( Use of microaerobic conditions for the improvement of anaerobic digestion of solid wastes. Bindzar, J; Jenicek, P; Keclik, F; Maca, J, 2008)	0.35
" Experiments were carried out to investigate adsorption kinetics, adsorption capacity of the adsorbent and the effect of adsorption dosage and solution pH values on the removal of cationic dyes."	( Removal of cationic dyes from aqueous solution using magnetic multi-wall carbon nanotube nanocomposite as adsorbent. Gong, JL; Liang, Y; Niu, CG; Niu, QY; Wang, B; Yang, CP; Zeng, GM; Zhou, WJ, 2009)	0.35
"6, and a volatile fatty acid level (VFA) below 500 mg/L, but the FLC had to interact and to change the substrate dosage permanently."	( Application of a fuzzy logic control system for continuous anaerobic digestion of low buffered, acidic energy crops as mono-substrate. Demirel, B; Lehmann, K; Scherer, P; Schmidt, O, 2009)	0.35
"Sludge biogas potential is often reduced by iron-dosing, the extent of the reduction being related to the nature of the sludge and the dosing process."	( A novel laboratory method to determine the biogas potential of iron-dosed activated sludge. Carliell-Marquet, CM; Smith, JA, 2009)	0.35
" The acute peroral toxicity of SWNHs was found to be quite low--the lethal dosage for rats was more than 2000 mg/kg of body weight."	( Toxicity of single-walled carbon nanohorns. Azami, T; Iijima, S; Kubo, Y; Miyawaki, J; Yudasaka, M, 2008)	0.35
" The degree of black staining of lymph nodes and concentration of mMWNTs had a dose-response relationship."	( Pilot study of targeting magnetic carbon nanotubes to lymph nodes. Fu, D; Hu, J; Jin, C; Long, J; Luo, G; Ni, Q; Wang, C; Xu, J; Yang, D; Yang, F; Yu, X, 2009)	0.35
"The dosage of alkali is often applied by the wastewater industry to reduce the transfer of hydrogen sulfide from wastewater to the sewer atmosphere."	( Effects of long-term pH elevation on the sulfate-reducing and methanogenic activities of anaerobic sewer biofilms. Gutierrez, O; Park, D; Sharma, KR; Yuan, Z, 2009)	0.35
" AChE inhibition by Cu, Cu-C, MWCNT and SWCNT had dose-response relationships, and their median inhibitory concentrations (IC(50)) were 4, 17, 156 and 96mgL(-1), respectively, showing that these nanoparticles may have neurotoxicity and AChE may have potential to be used as a biomarker for nanoparticles."	( Adsorption and inhibition of acetylcholinesterase by different nanoparticles. Gao, D; Li, F; Wang, Z; Xing, B; Zhao, J, 2009)	0.35
"Inhalation exposure systems are necessary tools for determining the dose-response relationship of inhaled toxicants under a variety of exposure conditions."	( Computer controlled multi-walled carbon nanotube inhalation exposure system. Chen, B; Frazer, D; McKinney, W, 2009)	0.35
" One received Fe(3+) dosage (experimental system) and the other was used as a control."	( Inhibition of sulfate-reducing and methanogenic activities of anaerobic sewer biofilms by ferric iron dosing. Keller, J; Yuan, Z; Zhang, L, 2009)	0.35
" Batch mode adsorption experiment was conducted to determine the effects of pH, agitation speed, CNTs dosage and contact time."	( Kinetic adsorption of application of carbon nanotubes for Pb(II) removal from aqueous solution. Al-Mamun, A; Alam, MD; Atieh, MA; Kabbashi, NA; Mirghami, ME; Yahya, N, 2009)	0.35
" When the dosage of chelating agent A was 10 micromol/L, the methane production was, respectively, 19."	( [Effect of metal chelating agent on anaerobic digestion under different substrates]. Chen, J; Hu, QH; Li, XF, 2009)	0.59
" The effects of ionic liquid kinds, temperature, time, and methanol dosage on methanolysis results of PC were examined."	( Environmentally benign methanolysis of polycarbonate to recover bisphenol A and dimethyl carbonate in ionic liquids. Cui, X; Ge, X; Li, Z; Liu, F; Yu, S, 2010)	0.36
"The dose-response curve was assessed for ground multiwalled carbon nanotubes (CNT) and the silica benchmark Min-U-Sil, on lung epithelial cells (A549 cells) and macrophages (stimulated THP-1 cells)."	( Assay conditions can influence the outcome of cytotoxicity tests of nanomaterials: better assay characterization is needed to compare studies. Geys, J; Hoet, PH; Nemery, B, 2010)	0.36
" In order to investigate the pulmonary toxicity of MWCNT, we conducted an in vivo dose-response and time course study of MWCNT in mice in order to assess their ability to induce pulmonary inflammation, damage, and fibrosis using doses that approximate estimated human occupational exposures."	( Mouse pulmonary dose- and time course-responses induced by exposure to multi-walled carbon nanotubes. Andrew, M; Battelli, L; Castranova, V; Chen, BT; Endo, M; Friend, S; Hubbs, AF; Leonard, S; Mercer, RR; Porter, DW; Schwegler-Berry, D; Sriram, K; Tsuruoka, S; Wolfarth, MG; Wu, N, 2010)	0.36
" The treatments include heating (H), ozonation (O), drug (D) application using fluvastatin, Na2SO4(S) dosing and their combinations to make up for the total of 9 pretreatment methods."	( Pretreatment evaluation and its application on palm oil mill effluent for bio-hydrogen enhancement and methanogenic activity repression. Nitisoravut, S; Wimonsong, P, 2009)	0.35
" In order to assess if such structures could induce any toxic effect in human cell cultures, we have probed its biocompatibility on a dosage and time dependent manner by measuring metabolic activity, cell proliferation, cell cycle distribution and apoptosis."	( Biocompatibility of iron filled carbon nanotubes in vitro. Büchner, B; Füssel, S; Hampel, S; Klingeler, R; Krämer, K; Leonhardt, A; Lipert, K; Meye, A; Ritschel, M; Taylor, A; Wirth, MP, 2009)	0.35
" These discrepancies appear to be related to the chemical structure and dosage of saponins, diet composition, microbial community and adaptation of microbiota to saponins."	( The effect and mode of action of saponins on the microbial populations and fermentation in the rumen and ruminant production. Patra, AK; Saxena, J, 2009)	0.35
" Based on the dosage differences in target organelles, SWCNTs were successfully used to deliver acetylcholine into brain for treatment of experimentally induced Alzheimer disease with a moderate safety range by precisely controlling the doses, ensuring that SWCNTs preferentially enter lysosomes, the target organelles, and not mitochondria, the target organelles for SWCNT cytotoxicity."	( Pharmacological and toxicological target organelles and safe use of single-walled carbon nanotubes as drug carriers in treating Alzheimer disease. Han, D; Li, H; Sun, L; Wang, C; Yang, Y; Yang, Z; Zhang, Y, 2010)	0.36
" This paper focuses on the dose-response and time course of pulmonary toxicity of Baytubes, a more flexible MWCNT type with the tendency to form assemblages of nanotubes."	( Multi-walled carbon nanotubes (Baytubes): approach for derivation of occupational exposure limit. Pauluhn, J, 2010)	0.36
" These seven factors include: influent concentrations of kaolin, organic matter (OM), alginate, and MWCNTs; type and dosage of coagulant; and method of MWCNT stabilization."	( Impact of source water quality on multiwall carbon nanotube coagulation. Filliben, JJ; Holbrook, RD; Kline, CN, 2010)	0.36
" This removal efficiency was found to be a function of the aqueous pH level, dosage of CNTs, mixing rate, and contact time."	( Removal of mercury from water by multi-walled carbon nanotubes. Al-Khaldi, S; Atieh, M; Khaled, M; Tawabini, B, 2010)	0.36
" To demonstrate the potential usefulness of these processes in applications, we disrupted animal cells dosed with polyhydroxy fullerenes by exposing them to a near-infrared laser for a few seconds, and also ignited an explosive charge in contact with a particle of carboxy fullerenes."	( Optical heating and rapid transformation of functionalized fullerenes. Koopman, B; Krishna, V; Moudgil, B; Stevens, N, 2010)	0.36
" An appropriate dosing strategy (repeated pulse dosing) combined with the choice of vitamin B(12) as the cobalt species is suggested as a promising dosing strategy for methanol-fed anaerobic bioreactors limited by the micronutrient cobalt."	( Effect of vitamin B12 pulse addition on the performance of cobalt deprived anaerobic granular sludge bioreactors. Bartacek, J; Fermoso, FG; Lens, PN, 2010)	0.36
" This protocol provides a step-by-step method for the mass-basis dosing of cultured cells with NPs, and the process of fixing, dehydrating, staining, resin embedding, ultramicrotome sectioning and subsequently visualizing NP uptake and translocation to specific intracellular locations with TEM."	( Preparation of cells for assessing ultrastructural localization of nanoparticles with transmission electron microscopy. Dai, L; Hussain, SM; Schlager, JJ; Schrand, AM, 2010)	0.36
" Exposure of different sizes of two carbon nanotubes at dosage levels between 3 and 300mug/ml decreased cell viability in a concentration dependent manner."	( Multi wall carbon nanotubes induce oxidative stress and cytotoxicity in human embryonic kidney (HEK293) cells. Himabindu, V; Krishna, DR; Reddy, AR; Reddy, YN, 2010)	0.36
"Nitrite dosing is a promising technology to prevent sulfide and methane formation in sewers, due to the known inhibitory/toxic effect of nitrite on sulfate-reducing bacteria (SRB) and methanogenic Archaea (MA)."	( Effects of nitrite concentration and exposure time on sulfide and methane production in sewer systems. Gutierrez, O; Jiang, G; Sharma, KR; Yuan, Z, 2010)	0.84
" Exposure of different sizes of four CNM at dosage levels between 3 and 300 μg/mL decreased cell viability in a concentration- and size-dependent manner."	( Induction of oxidative stress and cytotoxicity by carbon nanomaterials is dependent on physical properties. Himabindu, V; Narsimha Reddy, Y; Rama Krishna, D; Rama Narsimha Reddy, A, 2011)	0.37
"The effect of dosing a metal limited anaerobic sludge blanket (UASB) reactor with a metal pulse on the methanogenic activity of granular sludge has thus far not been successfully modeled."	( Dosing of anaerobic granular sludge bioreactors with cobalt: impact of cobalt retention on methanogenic activity. Bartacek, J; Fermoso, FG; Lens, PN; Manzano, R; van Leeuwen, HP, 2010)	0.36
" In the batch mode, experiments were carried out to investigate the effect of contact time, agitation speed, adsorbent dosage and solution pH on the removal of lead."	( Synthesis and characterization of alumina-coated carbon nanotubes and their application for lead removal. Agarwal, S; Gupta, VK; Saleh, TA, 2011)	0.37
" The optimal dosage of CNT powders pre-treated by acid was 4 mg/mL for the anode chamber with an effective volume of 25 mL."	( Carbon nanotube powders as electrode modifier to enhance the activity of anodic biofilm in microbial fuel cells. Cao, X; Fan, M; Huang, X; Liang, P; Mo, Y; Wang, H; Xia, X, 2011)	0.37
" Optimisation of acid dosing was performed considering digestibility benefits and level of acid required."	( The effect of acid pretreatment on the anaerobic digestion and dewatering of waste activated sludge. Devlin, DC; Dinsdale, RM; Esteves, SR; Guwy, AJ, 2011)	0.37
" In this study, the dosing formulation was not analyzed to determine the degree of reaggregation (or not), nor were blood levels of CNT's measured in the dosed animals to verify or characterize absorption."	( Maternal exposure to multi-wall carbon nanotubes does not induce embryo-fetal developmental toxicity in rats. Kang, SS; Kim, JC; Kim, SH; Lim, JH; Moon, C; Park, NH; Park, SC; Shin, IS, 2011)	0.37
" Regardless of dosage and administration method, such as inhalation, endotracheal administration, nasal drip and subcutaneous administration, once nanomaterials enter the bloodstream of a pregnant mother mouse, they move to the offspring and have effects on them."	( [Health effects of nanomaterials on next generation]. Ihara, T; Oshio, S; Shinkai, Y; Sugamata, M; Suzuki, K; Tainaka, H; Takeda, K; Umezawa, M; Yanagita, S; Yokota, S, 2011)	0.37
"The effects of chitosan addition on treatment of palm oil mill effluent were investigated using two lab-scale upflow anaerobic sludge bed (UASB) reactors: (1) with chitosan addition at the dosage of 2 mg chitosan per g volatile suspended solids on the first day of the operation (R1), (2) without chitosan addition (the control, R2)."	( Effect of chitosan on UASB treating POME during a transition from mesophilic to thermophilic conditions. Khemkhao, M; Nuntakumjorn, B; Phalakornkule, C; Techkarnjanaruk, S, 2011)	0.37
" Methanogenesis was not markedly inhibited when 90 mg l(-1) of sulfide was dosed alone."	( Denitrifying sulfide removal and carbon methanogenesis in a mesophilic, methanogenic culture. Lee, DJ; Wong, BT, 2011)	0.37
" The yeast strains were dosed via the rumen cannula daily at the time of feeding."	( Differing effects of 2 active dried yeast (Saccharomyces cerevisiae) strains on ruminal acidosis and methane production in nonlactating dairy cows. Beauchemin, KA; Chung, YH; McGinn, SM; Walker, ND, 2011)	0.59
"Several recent studies showed that nitrite dosage to wastewater results in long-lasting reduction of the sulfate-reducing and methanogenic activities of anaerobic sewer biofilms."	( The strong biocidal effect of free nitrous acid on anaerobic sewer biofilms. Gutierrez, O; Jiang, G; Yuan, Z, 2011)	0.37
" The influence of various degradation parameters such as solar illumination time, initial dye concentration, dosage and pH was investigated."	( Functionalization of tungsten oxide into MWCNT and its application for sunlight-induced degradation of rhodamine B. Gupta, VK; Saleh, TA, 2011)	0.37
"1% of inhibition respectively, which showed that the impact of ZnO NPs on methane production was dosage dependant."	( Long-term effect of ZnO nanoparticles on waste activated sludge anaerobic digestion. Chen, Y; Mu, H, 2011)	0.6
" The influences of parameters including initial pH, dosage of adsorbent and contact time have been investigated in order to find the optimum adsorption conditions."	( Removal of some cationic dyes from aqueous solutions using magnetic-modified multi-walled carbon nanotubes. Afkhami, A; Ahmadi, M; Bagheri, H; Madrakian, T, 2011)	0.37
" The intermittent dosing of FNA as a measure for controlling sulfide and methane productions in sewers is investigated."	( Optimization of intermittent, simultaneous dosage of nitrite and hydrochloric acid to control sulfide and methane productions in sewers. Gutierrez, O; Jiang, G; Keller, J; Sharma, KR; Yuan, Z, 2011)	0.81
" Alkalinity was dosed to the methanogenic reactor to avoid pH drops."	( Maize mono-digestion efficiency: results from laboratory tests. Ficara, E; Malpei, F, 2011)	0.37
" To demonstrate the capability of this new biomonitoring method, AChE solutions dosed with different concentrations of paraoxon were used to validate the new AChE assay method."	( Highly sensitive and selective immuno-capture/electrochemical assay of acetylcholinesterase activity in red blood cells: a biomarker of exposure to organophosphorus pesticides and nerve agents. Chen, A; Du, D; Lin, Y, 2012)	0.38
" Cells were able to recover from SWCNTs-BSA over ∼30 h, regardless of dosage level or exposure time."	( Cells take up and recover from protein-stabilized single-wall carbon nanotubes with two distinct rates. Dahl, KN; Holt, BD; Islam, MF, 2012)	0.38
" Here, we report a dose-response study; three groups of p53 heterozygous mice (n = 20) were given a single intraperitoneal injection of 300 μg/mouse of μm-MWCNT (corresponding to 1 × 10(8) fibers), 30 μg/mouse (1 × 10(7)) or 3 μg/mouse (1 × 10(6)), respectively, and observed for up to 1 year."	( Dose-dependent mesothelioma induction by intraperitoneal administration of multi-wall carbon nanotubes in p53 heterozygous mice. Futakuchi, M; Hirose, A; Kanno, J; Takagi, A; Tsuda, H, 2012)	0.38
" It was observed that the extracellular polymeric substances (EPS) of AGS and the methane production were not significantly influenced at ZnO NPs of 10 and 50 mg per gram of total suspended solids (mg/g-TSS), but they were decreased when the dosage of ZnO NPs was greater than 100 mg/g-TSS."	( Response of anaerobic granular sludge to a shock load of zinc oxide nanoparticles during biological wastewater treatment. Chen, H; Chen, Y; Liu, K; Mu, H; Zheng, X, 2012)	0.6
"Three female Crl:CD(SD) rats/group were dosed with single wall carbon nanotube (SWCNT) or multi wall carbon nanotube (MWCNT) four times by gavage at a total of 50 mg/kg bw or 200 mg/kg bw (four equally divided doses at one-hour intervals)."	( No toxicological effects on acute and repeated oral gavage doses of single-wall or multi-wall carbon nanotube in rats. Hirata-Koizumi, M; Hirose, A; Kamata, E; Kato, H; Matsumoto, M; Ono, A; Serizawa, H; Sunaga, M; Takahashi, M, 2012)	0.38
" Were the intensity and frequency of convective injection to increase as a result of climate forcing by the continued addition of CO(2) and CH(4) to the atmosphere, increased risk of ozone loss and associated increases in ultraviolet dosage would follow."	( UV dosage levels in summer: increased risk of ozone loss from convectively injected water vapor. Anderson, JG; Sayres, DS; Smith, JB; Wilmouth, DM, 2012)	0.38
" The reactors were operated at 10 °C, often typical of ambient temperatures in Ireland, and were simultaneously dosed with an air mixture containing the gas in question and with synthetic wastewater (SWW)."	( A horizontal flow biofilm reactor (HFBR) technology for the removal of methane and hydrogen sulphide at low temperatures. Clifford, E; Collins, G; Gerrity, S; Kennelly, C; Rodgers, M; Walsh, R, 2012)	0.61
" Conditioned cell culture media of macrophages treated with multi-walled carbon nanotubes and crocidolite and the supernatants of pleural cavity lavage fluid from the dosed rats increased mesothelial cell proliferation in vitro, suggesting that mesothelial proliferative lesions were induced by inflammatory events in the lung and pleural cavity and likely mediated by macrophages."	( Multi-walled carbon nanotubes translocate into the pleural cavity and induce visceral mesothelial proliferation in rats. Alexander, DB; Fukamachi, K; Futakuchi, M; Hirose, A; Kanno, J; Nakae, D; Ogata, A; Omori, T; Sakamoto, Y; Shimizu, H; Suzui, M; Tsuda, H; Xu, J; Yanagihara, K, 2012)	0.38
"053 gVS/gVS(reactor) (Day 1-435, SRT 20 days, SRT20) at FA 1g/d (FA1), BA 12 g/d (BA12) and BA 24 g/d (BA24) dosed bioreactors increased after adaptation."	( Effects of different SRT on anaerobic digestion of MSW dosed with various MSWI ashes. Chiu, HY; Lo, FC; Lo, HM; Lo, SW, 2012)	0.38
" At the highest NaOH dosage the reduction of cellulose, hemicelluloses and lignin was 31, 66 and 44%, and 13, 45 and 3% for sorghum and wheat straw, respectively."	( Sodium hydroxide pretreatment of ensiled sorghum forage and wheat straw to increase methane production. Ficara, E; Malpei, F; Manzoni, M; Rollini, M; Sambusiti, C, 2012)	0.6
" High ionic strength facilitated the destabilization of the HA-stabilized MWCNTs and thereby lowered the required PACl dosage for the coagulation."	( Coagulation removal of humic acid-stabilized carbon nanotubes from water by PACl: influences of hydraulic condition and water chemistry. Lin, D; Liu, C; Ma, S; Yang, K, 2012)	0.38
" The reactors were operated at 10 degrees C (typical of ambient air and wastewater temperatures in northern Europe), and were simultaneously dosed with CH4-contaminated air and a synthetic wastewater (SWW)."	( Optimization of a horizontal-flow biofilm reactor for the removal of methane at low temperatures. Clifford, E; Collins, G; Gerrity, S; Kennelly, C; Reilly, EO; Walsh, R, 2012)	0.61
" Still, there was linear dose-response relationship for 8-oxo-7,8-dihydroguanine in lung tissue without obvious signs of a threshold."	( Oxidatively damaged DNA in animals exposed to particles. Danielsen, PH; Jantzen, K; Loft, S; Møller, P; Roursgaard, M, 2013)	0.39
"Nitrate dosing is widely used by water industry to control hydrogen sulfide production in sewers."	( Effects of nitrate dosing on methanogenic activity in a sulfide-producing sewer biofilm reactor. Jiang, G; Sharma, KR; Yuan, Z, 2013)	0.39
" All the aspects influencing the adsorption (extraction time, adsorbent dosage and pH) and desorption (desorption time and desorption solvent) of the analyte on the MIPMCNTs have been investigated."	( Selective solid-phase extraction of naproxen drug from human urine samples using molecularly imprinted polymer-coated magnetic multi-walled carbon nanotubes prior to its spectrofluorometric determination. Afkhami, A; Ahmadi, M; Madrakian, T; Soleimani, M, 2013)	0.39
" Using a standardized procedure to ensure the dispersion of the NMs and the cytokinesis-block micronucleus assay (without metabolic activation), we observed significant increases in the frequencies of micronucleated binucleated cells (MNBCs) for some TiO2 NMs and for two MWCNTs, although no clear dose-response relationships could be disclosed."	( Genotoxicity evaluation of nanosized titanium dioxide, synthetic amorphous silica and multi-walled carbon nanotubes in human lymphocytes. Antunes, S; De Temmerman, PJ; Jensen, KA; Louro, H; Mast, J; Nesslany, F; Norppa, H; Quarré, S; Silva, MJ; Simar, S; Tavares, AM; Verleysen, E, 2014)	0.4
" The removal efficiency was affected by initial NDMA concentration; higher NDMA dosing required higher ozone utilization."	( Reinvestigation on the ozonation of N-nitrosodimethylamine: Influencing factors and degradation mechanism. Li, Y; Lv, J; Song, Y, 2013)	0.39
" Pulmonary Saa3 expression correlated with the number of neutrophils in BAL across different dosing regimens, doses and time points."	( Particle-induced pulmonary acute phase response correlates with neutrophil influx linking inhaled particles and cardiovascular risk. Hougaard, KS; Jackson, P; Jacobsen, NR; Lamson, JS; Madsen, AM; Nyendi, AN; Ravn-Haren, G; Saber, AT; Vogel, U; Wahlberg, P; Wallin, H, 2013)	0.39
" Thus concentrations mimicking bolus dosing of PEG-DSPE coated SWCNT induce both acute and chronic vascular responses."	( Vasoactive effects of stable aqueous suspensions of single walled carbon nanotubes in hamsters and mice. Dewar, AM; Frame, MD; Mullick Chowdhury, S; Sitharaman, B, 2014)	0.4
" Three types of analysis are presented: the RT, the random forest (RF), and a random-forest-based dose-response model."	( A meta-analysis of carbon nanotube pulmonary toxicity studies--how physical dimensions and impurities affect the toxicity of carbon nanotubes. Casman, EA; Gernand, JM, 2014)	0.4
"As the majority of side effects of current chemotherapies stems from toxicity due to excessive dosing of anticancer drugs, minimizing the amount of drug while maximizing drug efficacy is essential to increase the life-quality of chemotherapy patients."	( Nullifying tumor efflux by prolonged endolysosome vesicles: development of low dose anticancer-carbon nanotube drug. Choi, J; Choi, WS; Kang, SS; Khang, D; Kim, CJ; Kim, SH; Lee, JK; Lee, S; Lee, YK; Nam, TH; Wang, W, 2013)	0.39
" Sensitive, rapid, and fully validated electrochemical and RP-LC methods for the determination of IRT in its dosage form were presented in details."	( Analytical application of polymethylene blue-multiwalled carbon nanotubes modified glassy carbon electrode on anticancer drug irinotecan and determination of its ionization constant value. Akmese, B; Can, A; Dogan-Topal, B; Karadas, N; Ozkan, SA; Sanli, S, 2013)	0.39
" Both types of sludge produced less short-chain fatty acid compared to the control, with a reduction of 15-19% for the flocculent sludge at the dosage of 5, 50 and 150 mg CeO2-NPs/g-VSS, and a reduction of 35% for the granular sludge at 150 mg CeO2-NPs/g-VSS."	( Responses of anaerobic granule and flocculent sludge to ceria nanoparticles and toxic mechanisms. Ma, J; Quan, X; Si, X; Wu, Y, 2013)	0.39
" Under ambient dosing conditions, carbonyl addition occurs selectively at C4 without a second carboxylation event occurring at the C2 carbene center."	( Site specific carboxylation of abnormal anionic N-heterocyclic dicarbenes with CO2. Ashfeld, BL; Meyer, CJ; Oliver, AG; Schneider, WF; Vogt, M; Wu, C, 2013)	0.39
"Caustic dosing to raise pH above 10."	( Assessment of pH shock as a method for controlling sulfide and methane formation in pressure main sewer systems. Ganigué, R; Gutierrez, O; Jiang, G; Ren, G; Sudarjanto, G; Yuan, Z, 2014)	0.64
" In addition, we compared pulmonary responses to SWCNT by bolus dosing through pharyngeal aspiration and inhalation 5 h/day for 4 days, to evaluate the effect of dose rate."	( Long-term effects of carbon containing engineered nanomaterials and asbestos in the lung: one year postexposure comparisons. Castranova, V; Chirila, MM; Hubbs, A; Kagan, VE; Keohavong, P; Kisin, ER; Murray, AR; Shvedova, AA; Sycheva, LP; Tkach, AV; Yanamala, N, 2014)	0.4
" The analytical utility of method was checked by determining the SFA in various pharmacological dosage forms."	( Carbon nanotube embedded poly 1,5-diaminonapthalene modified pyrolytic graphite sensor for the determination of sulfacetamide in pharmaceutical formulations. Agrawal, B; Choubey, PK; Goyal, RN; Yadav, SK, 2014)	0.4
"Surfactant mediated exfoliation of multilayer graphene and its effects on phenanthrene adsorption were investigated using a passive dosing technique."	( Adsorption of phenanthrene on multilayer graphene as affected by surfactant and exfoliation. Wang, Z; Xing, B; Zhao, J; Zhao, Q, 2014)	0.4
" Within a relatively low dosage range (30 µg/ml) and short time period (24 h), MWCNT treatment does not induce significant cytotoxicity, cell cycle changes, apoptosis, or DNA damage."	( Proteomic analysis of cellular response induced by multi-walled carbon nanotubes exposure in A549 cells. Chen, FF; Duerksen-Hughes, PJ; Gao, X; Jia, Z; Jiang, Y; Ju, L; Li, H; Yan, C; Yang, J; Zhang, G; Zhang, X; Zhu, X, 2014)	0.4
" Furthermore, the effects of calcination temperature, pH, RR2 concentration, and the TiO2/CNTs composite dosage on RR2 decolourization were determined simultaneously."	( Synergistic effects between TiO2 and carbon nanotubes (CNTs) in a TiO2/CNTs system under visible light irradiation. Chen, ST; Kuo, CY; Wu, CH, )	0.13
"A trace element dosing strategy for the anaerobic digestion of wheat stillage was developed in this study."	( Trace element supplementation in the biogas production from wheat stillage--optimization of metal dosing. Nelles, M; Pröter, J; Schmidt, T; Scholwin, F, 2014)	0.4
" The results showed that with the increase of genistein dose at the range of 10(-9) to 10(-6)M, the two electrochemical signals of MCF-7 cell suspension increased due to the proliferation, whereas the tendency at the high dosage range of more than 10(-5)M was decreased."	( Two-signal electrochemical method for evaluation suppression and proliferation of MCF-7 cells based on intracellular purine. Cui, J; Gao, G; Li, J; Lin, R; Liu, J; Wang, Q; Wu, D, 2014)	0.4
"A novel concept of dosing iron ions using Fe3O4 engineered nanoparticles is used to improve biogas production in anaerobic digestion processes."	( Programmed iron oxide nanoparticles disintegration in anaerobic digesters boosts biogas production. Arbiol, J; Barrena, R; Busquets-Fité, M; Casals, E; Delgado, L; Font, X; García, A; Glatzel, P; González, E; Kvashnina, K; Puntes, V; Sánchez, A, 2014)	0.4
" Dosing 3 NP had a transitory inhibitory effect on methane production, which may have been due to the product leaving the rumen in liquid outflow or through absorption or metabolism."	( Effects of 3-nitrooxypropanol on methane emission, digestion, and energy and nitrogen balance of lactating dairy cows. Duval, S; Humphries, DJ; Kindermann, M; Kirton, P; Reynolds, CK; Steinberg, W, 2014)	0.94
" Dosing the films on the interdigitated electrodes with methanol, ethanol, chloroform and toluene vapors increased the film resistance of CNT-CS but decreased the resistance of CNT-CS-PCL compared to that of the reported transducers."	( Chitosan and chitosan-co-poly(epsilon-caprolactone) grafted multiwalled carbon nanotube transducers for vapor sensing. Akhtar, S; Chatterjee, S; Ha, CS; Mishra, S; Rana, VK; Singh, RP, 2014)	0.4
"Oral dosage forms and traditional transdermal patches are inadequate for complex clonidine therapy dosing schemes, because of the variable dose/flux requirement for the treatment of opioid withdrawal symptoms."	( Programmable transdermal clonidine delivery through voltage-gated carbon nanotube membranes. Hammell, D; Hinds, BJ; Paudel, KS; Pinninti, RR; Stinchcomb, A; Strasinger, C; Wu, J, 2014)	0.4
" The impact of oxygen dosing for sulfide control in sewers on CH4 and N2O production was assessed in this study in laboratory sewer reactors."	( Impact of oxygen injection on CH4 and N2O emissions from rising main sewers. Ganigué, R; Yuan, Z, 2014)	0.4
" Previous studies of anaerobic digestion of citrus waste under different conditions are presented; however, some controversy exists regarding the limiting dosage of limonene for a stable process (24-192 mg of citrus essential oil per liter of digester and day)."	( Citrus essential oils and their influence on the anaerobic digestion process: an overview. Flotats, X; Ruiz, B, 2014)	0.4
"In order to optimize the enzymatic dosage and microalgae biomass loads subjected to enzymatic hydrolysis prior anaerobic digestion of Chlorella vulgaris, organic matter solubilisation and methane production were investigated."	( Protease cell wall degradation of Chlorella vulgaris: effect on methane production. Ballesteros, M; Blanco, S; González-Fernández, C; Mahdy, A; Mendez, L, 2014)	0.83
" The important factors affecting extraction efficiency, such as the dilution volume of hexane, the type of adsorbent material, the dosage of SWCNTs, the volume of wash solution, the type and volume of elution solution were optimized."	( [Determination of six phthalate acid esters in camellia oil by gas chromatography-mass spectrometry coupled with solid-phase extraction using single-walled carbon nanotubes as adsorbent]. Huang, Z; Li, Z; Wang, X; Zhang, F; Zhang, Y, 2014)	0.4
" More importantly, the required dosage of organic cosubstrate was significantly reduced in the UASB-BES system than that in the UASB reactor."	( Coupling of a bioelectrochemical system for p-nitrophenol removal in an upflow anaerobic sludge blanket reactor. Hua, C; Jiang, X; Li, J; Mu, Y; Shen, J; Sun, X; Wang, L; Xu, X; Zhang, L, 2014)	0.4
" A fully anaerobic UASB reactor served as a control while air was dosed into a microaerobic UASB reactor (UMSB)."	( Microaeration for hydrogen sulfide removal in UASB reactor. Bartacek, J; Jenicek, P; Kolesarova, N; Krayzelova, L, 2014)	0.4
" The results of the activities changes of alanine aminotransferase (ALT), aspartate aminotransferase (AST), total bilirubin (TB), and blood urea nitrogen (BUN) in plasma showed that the hepatotoxicity of coexposure was lower than that of single exposure, and the hepatotoxicity and accumulation of oMWCNTs in livers depended strongly on the exposure dosage of oMWCNTs."	( The effect of multiwalled carbon nanotubes on hepatotoxicity of Cd2+ in accumulated cadmium-metallothione in mice. Juanjuan, B; Longlong, T; Peng, L; Wangsuo, W; Wei, Q; Zhan, L, 2014)	0.4
" For the different nanomaterials, the calculated effective dosage upon 12- or 24-h test substance incubation differed considerably (and to different extents) depending on the applied dispersing agent."	( Influence of dispersive agent on nanomaterial agglomeration and implications for biological effects in vivo or in vitro. Aumann, A; Landsiedel, R; Ma-Hock, L; Sauer, UG; Wohlleben, W, 2015)	0.42
" Glycerol dosing resulted in no change in apparent dewaterability, with both codigestion and control reactors returning values of 22%-24%."	( Anaerobic codigestion of sewage sludge and glycerol, focusing on process kinetics, microbial dynamics and sludge dewaterability. Astals, S; Batstone, DJ; Devadas, M; Jensen, PD; Lu, Y, 2014)	0.4
" This work investigated the feasibility of using Ag40-AgCl/ZnO to degrade lignin under natural solar light and then subsequent methane production with influencing factors like solution pH, dosage of catalyst and initial lignin concentration being considered."	( Photocatalytic degradation of lignin on synthesized Ag-AgCl/ZnO nanorods under solar light and preliminary trials for methane fermentation. Lei, Z; Li, H; Liu, C; Lu, B; Zhang, Z, 2015)	0.83
"Nitrate (NO₃⁻) is commonly dosed in sewer systems to reduce sulfide (H₂S) and methane (CH₄) produced in anaerobic rising main pipes."	( Implications of Downstream Nitrate Dosage in anaerobic sewers to control sulfide and methane emissions. Auguet, O; Borrego, CM; Guasch-Balcells, H; Gutierrez, O; Pijuan, M, 2015)	0.87
" Parallel batch reactors were operated for six days, with increasing erythromycin dosing in the range of 1-1000 mg L(-1)."	( Acute effect of erythromycin on metabolic transformations of volatile fatty acid mixture under anaerobic conditions. Cetecioglu, Z; Ince, B; Ince, O; Orhon, D, 2015)	0.42
"296 g/gTVS was achieved at optimal hydrolysis conditions (microwave temperature = 190°C, time = 10 min, and cellulase dosage = 5 wt%)."	( Characterisation of water hyacinth with microwave-heated alkali pretreatment for enhanced enzymatic digestibility and hydrogen/methane fermentation. Cen, K; Cheng, J; Ding, L; Lin, R; Song, W; Xie, B; Zhou, J, 2015)	0.62
"8 mL when increasing the ZVI dosage from 0 to 10 g/L."	( Zero-valent iron enhanced methanogenic activity in anaerobic digestion of waste activated sludge after heat and alkali pretreatment. Feng, Y; Quan, X; Zhang, Y, 2015)	0.42
" For all four enzyme mixtures, a dosage effect (P>0."	( Effect of fibrolytic enzymes added to a Andropogon gayanus grass silage-concentrate diet on rumen fermentation in batch cultures and the artificial rumen (Rusitec). Beauchemin, KA; Chaves, AV; Gonçalves, LC; McAllister, TA; Pereira, LG; Ribeiro, GO; Wang, Y, 2015)	0.42
" Using selective adsorption onto hydrogels, high purity m-SWCNT and s-SWCNT fractions were produced and their biological impacts determined in dose-response studies with Pseudokirchneriella subcapitata as test organism."	( Unique toxicological behavior from single-wall carbon nanotubes separated via selective adsorption on hydrogels. Bonzongo, JC; Clar, JG; Gustitus, SA; Silvera Batista, CA; Youn, S; Ziegler, KJ, 2015)	0.42
" The three lower concentrations showed considerable biogas production, whereas the 30 g L(-1) dosage caused process inhibition."	( Integration of pyrolysis and anaerobic digestion--use of aqueous liquor from digestate pyrolysis for biogas production. Hübner, T; Mumme, J, 2015)	0.42
"Nitrate dosing is widely used to control sulfide and methane formation in sewers."	( Effects of nitrate dosing on sulfidogenic and methanogenic activities in sewer sediment. Fan, L; Liu, Y; Murthy, S; Ni, BJ; Sharma, KR; Tyson, GQ; Yuan, Z, 2015)	0.67
" Model based analysis showed that the cost for chemical dosage for sulfide mitigation would increase significantly per unit volume of sewage, although the total cost would decrease due to a lower sewage flow."	( Impact of reduced water consumption on sulfide and methane production in rising main sewers. Bustamante, H; Hu, S; Sharma, KR; Sun, J; Yuan, Z, 2015)	0.67
" The results show that increasing antiviral drug (ribavirin) intake was observed by SWCNTs carrier and therapeutic dosage to kill grass carp reovirus is significantly reduced."	( Carbon nanotube-based nanocarrier loaded with ribavirin against grass carp reovirus. Ling, F; Liu, GL; Wang, GX; Zhu, B, 2015)	0.42
" A dose-response cell proliferation assay showed that low doses of ND-MWCNT (1."	( Effects of nitrogen-doped multi-walled carbon nanotubes compared to pristine multi-walled carbon nanotubes on human small airway epithelial cells. Castranova, V; Cruz-Silva, R; Ding, W; Endo, M; McLoughlin, C; Mihalchik, AL; Porter, DW; Qian, Y; Schwegler-Berry, D; Sisler, JD; Snyder-Talkington, BN; Stefaniak, AB; Terrones, M; Tsuruoka, S, 2015)	0.42
" At the age of 28 days, the percentage increase in flexural and compressive strength with different dosage of CNTs was found to be up to 41% and 5% respectively."	( Development of carbon nanotube modified cement paste with microencapsulated phase-change material for structural-functional integrated application. Cui, H; Memon, SA; Yang, S, 2015)	0.42
" We hypothesised that by conjugating HDPs with carbon nanotubes and/or gold nanoparticles, it would be possible to stimulate a protective immune response in host system at a lower dosage of HDP."	( Immune activation efficacy of indolicidin is enhanced upon conjugation with carbon nanotubes and gold nanoparticles. Aich, P; Banerjee, A; Pradhan, B; Sur, A, 2015)	0.42
" In conclusion, feeding EN to beef heifers lowered enteric methane production in a dose-response manner, which slightly increased energy supply."	( Effects of encapsulated nitrate on enteric methane production and nitrogen and energy utilization in beef heifers. Araujo, RC; Beauchemin, KA; Koenig, KM; Lee, C, 2015)	0.92
" Both protein and carbohydrate in the fermentation liquid increased with the dosage of NaCl, and it provided a larger amount of organic compounds for the production of the VFAs."	( Enhanced volatile fatty acids production of waste activated sludge under salinity conditions: Performance and mechanisms. Peng, Y; Su, G; Wang, S; Yuan, Z, 2016)	0.43
" However, higher doses of carbon and silver nanoparticles at both short and long dosing periods can contribute to erroneous or incomplete data with this technique."	( Assessment of Carbon- and Metal-Based Nanoparticle DNA Damage with Microfluidic Electrophoretic Separation Technology. Hussain, SM; Powell, T; Robertson, T; Schrand, AM, 2015)	0.42
" Adsorption characteristics were evaluated as a function of system variables such as contact time, dosage of fMWNTs and initial concentration and pH of the crystal violet solution."	( Adsorption of crystal violet onto functionalised multi-walled carbon nanotubes: Equilibrium and kinetic studies. Chandrakaran, S; Sabna, V; Thampi, SG, 2016)	0.43
" The results showed that an increase in contact time and adsorbent dosage resulted in increase of the adsorption rate."	( Kinetic and isotherm modeling of Cd (II) adsorption by L-cysteine functionalized multi-walled carbon nanotubes as adsorbent. Akbari-adergani, B; Taghavi, M; Yousefi, Z; Zazouli, MA, 2015)	0.42
" Effects of dosage of adsorbent, pH, ionic strength, contact time, initial concentration of lead and temperature were investigated."	( [Adsorption Behaviors of Lead on Multi-Walled Carbon Nanotube-Hydroxyapatite Composites]. Li, Y; Zhang, JL, 2015)	0.42
" Moreover, when the dosage of Ca concentration increased from zero to 8000 mg/L, reductions in solution Ca concentration increased from 929 to 2611 mg/L, and the proportion of Ca in the residual sludge increased from 22."	( Inhibition effects of high calcium concentration on anaerobic biological treatment of MSW leachate. He, PJ; Lü, F; Pu, HX; Shao, LM; Xia, Y; Zhang, H, 2016)	0.43
" Serum from MMP-9(-/-)mice exposed to MWCNT did not diminish the magnitude of vasorelaxation in naïve WT aortic rings, although a modest right shift of the ACh dose-response curve was observed in both MWCNT dose groups relative to controls."	( MMP-9-Dependent Serum-Borne Bioactivity Caused by Multiwalled Carbon Nanotube Exposure Induces Vascular Dysfunction via the CD36 Scavenger Receptor. Aragon, M; Bishop, L; Campen, MJ; Erdely, A; Eye, T; Hall, P; Kodali, V; Liu, J; Ottens, AK; Salmen, R; Stafflinger, JE; Weaver, J; Zeidler-Erdely, P, 2016)	0.43
" This paper proposes such a quantitative risk prioritisation tool, based on a multi-criteria decision analysis algorithm, which combines advanced exposure and dose-response modelling to calculate margins of exposure (MoE) for a number of MN in order to rank their occupational risks."	( Demonstration of a modelling-based multi-criteria decision analysis procedure for prioritisation of occupational risks from manufactured nanomaterials. Alstrup Jensen, K; Critto, A; Gottardo, S; Hristozov, D; Isigonis, P; Maccalman, L; Marcomini, A; Zabeo, A, 2016)	0.43
" Addition of formate improved the MOCs of MMCs, but the dose-response varied for different MMCs."	( Influence of nutrients on oxidation of low level methane by mixed methanotrophic consortia. Chidambarampadmavathy, K; Heimann, K; Karthikeyan, OP; Nadarajan, S, 2016)	0.69
" Dosage of TEs played a critical role in methane production, COD removal and biomass growth of the AnMBR's methanogenesis."	( Multiple effects of trace elements on methanogenesis in a two-phase anaerobic membrane bioreactor treating starch wastewater. Li, C; Liu, J; Wang, L; Wei, Y; Yu, D; Zhang, J, 2016)	0.7
" The operational parameters such as Fe(2+) dosage and current density were optimized, and comparison among different modified methods-polytetrafluoroethylene-carbon black (PTFE-CB), polytetrafluoroethylene-carbon nanotube (PTFE-CNT), electrodeposition-CB, and electrodeposition-CNT-showed 98."	( Efficient degradation of rhodamine B using modified graphite felt gas diffusion electrode by electro-Fenton process. Mu, T; Olajuyin, AM; Tian, J; Xing, J; Yang, M, 2016)	0.43
" The degradation efficiency of AO7 is also affected by the dosage of the composite catalyst and pulsed discharge peak voltage."	( Enhanced degradation of azo dye in wastewater by pulsed discharge plasma coupled with MWCNTs-TiO2/γ-Al2O3 composite photocatalyst. Hu, S; Li, X; Liang, D; Qu, G; Wang, T, 2016)	0.43
"The addition of various amounts of biochar to anaerobic digestion of food wastes at different ratios of inoculum to substrate (ISR) was investigated to evaluate the effect of biochar as a functional additive and to optimize the additive dosage of biochar."	( Effects and optimization of the use of biochar in anaerobic digestion of food wastes. Cai, J; He, P; Lü, F; Shao, L; Wang, Y, 2016)	0.43
" The dosage of pectin decreased by 66% and effective time extended 10 times than typical kinetic inhibitor."	( Pectin as an Extraordinary Natural Kinetic Hydrate Inhibitor. Chen, J; Fan, S; Fang, S; Lang, X; Wang, Y; Xu, S, 2016)	0.43
" The effects of dosage of adsorbent, the initial pH of solution, contact time and temperature on the adsorption capacity were studied."	( Removal of sunset yellow FCF from aqueous solution using polyethyleneimine-modified MWCNTs. Gao, H; Liao, Y; Zhang, L, 2016)	0.43
" However, secondary dosing of SWCNTs in SWCNTs-treated groups would decrease the phenol removal efficiency."	( Illumina MiSeq sequencing reveals long-term impacts of single-walled carbon nanotubes on microbial communities of wastewater treatment systems. Li, S; Ma, F; Ma, Q; Pei, X; Qu, Y; Shen, W; You, S; Zhang, X; Zhou, J, 2016)	0.43
" This difference may enable a strategy whereby A-stage sludge is separated to achieve fermentation, and iron dosing for phosphate removal is only implemented at the B-stage."	( Production of carboxylates from high rate activated sludge through fermentation. Cagnetta, C; Coma, M; Rabaey, K; Vlaeminck, SE, 2016)	0.43
"Adsorption and bioaccessibility of phenanthrene on graphite and multiwalled carbon nanotubes (CNTs) were investigated in simulated gastrointestinal fluid using a passive dosing system."	( Adsorption and bioaccessibility of phenanthrene on carbon nanotubes in the in vitro gastrointestinal system. Du, P; Li, W; Tao, S; Xing, B; Zhao, J; Zhao, Q; Zheng, H, 2016)	0.43
" Dose-response trajectories were apparent and spectral peaks related to both dose and MWCNT dispersion methodologies were determined."	( Biomarker analysis of liver cells exposed to surfactant-wrapped and oxidized multi-walled carbon nanotubes (MWCNTs). Al-Abed, SR; Bouchard, D; Chang, X; Henderson, WM; Teng, Q, 2016)	0.43
"This study aimed to evaluate the role of different amount of zeolite with low dosage of lime amendment on the greenhouse gas (GHGs) emission and maturity during the dewatered fresh sewage sludge (DFSS) composting."	( Influence of zeolite and lime as additives on greenhouse gas emissions and maturity evolution during sewage sludge composting. Ali, A; Awasthi, MK; Huang, H; Lahori, AH; Li, R; Mahar, A; Ren, X; Shen, F; Wang, Q; Zhang, Z, 2016)	0.43
" Cl(-) and SO4 (2-) exhibited a promoting effect on OG decolorization, and the accelerating rate increased with elevating dosage of ions."	( Activated carbon fiber for heterogeneous activation of persulfate: implication for the decolorization of azo dye. Chen, J; Hong, W; Huang, T; Li, W; Wang, Y; Zhang, L, 2016)	0.43
" The sampler was field tested at the Experimental Lakes Area, Canada, in lake water dosed with AgNPs."	( Carbon Nanotube Integrative Sampler (CNIS) for passive sampling of nanosilver in the aquatic environment. Fischer, J; Hintelmann, H; Hoque, ME; Martin, J; Metcalfe, CD; Shen, L; Telgmann, L; Yargeau, V, 2016)	0.43
" Mg(2+) has been identified as an important element to improve digesters methane production; however the inhibition risk that high Mg(2+) concentrations can cause to the AD process must also be considered when dosing Mg reagents and wastes containing Mg(2+)."	( The effect of magnesium as activator and inhibitor of anaerobic digestion. Astals, S; Chimenos, JM; Mata-Alvarez, J; Romero-Güiza, MS, 2016)	0.67
" Effects of dispersant type (sodium dodecyl benzene sulfonate (SDBS), oleic acid, and polymer (TNEDIS)) and surfactant dosage on the dispersity of the metal-coated MWNTs were investigated under controlled and uncontrolled temperatures and results were compared with those from the untreated MWNTs."	( Investigation of Surfactant Type, Dosage and Ultrasonication Temperature Control on Dispersity of Metal-Coated Multi-Walled Carbon Nanotubes. Li, W; Liang, X, 2016)	0.43
" We also found that while single-dose exposure failed to induce profibrotic effects in the lung, repetitive dosing can trigger increased collagen production, even at 3 × 3 mg/kg."	( Repetitive Dosing of Fumed Silica Leads to Profibrogenic Effects through Unique Structure-Activity Relationships and Biopersistence in the Lung. Brinker, CJ; Chang, CH; Dunphy, DR; Ji, Z; Ku, J; Li, R; Liao, YP; Liu, X; Mädler, L; Meng, H; Nel, AE; Pokhrel, S; Sun, B; Wang, M; Wang, X; Xia, T, 2016)	0.43
" The key evidence gaps to be filled by research include: investigation of possible associations between in vitro and early-stage in vivo events that may be predictive of lung cancer or mesothelioma, and systematic analysis of dose-response relationships across materials, including evaluation of the influence of physico-chemical properties and experimental factors on the observation of nonmalignant and malignant endpoints."	( Evaluating the mechanistic evidence and key data gaps in assessing the potential carcinogenicity of carbon nanotubes and nanofibers in humans. Fubini, B; Jaurand, MC; Kane, AB; Kobayashi, N; Kuempel, ED; Morimoto, Y; Møller, P; Pinkerton, KE; Sargent, LM; Vermeulen, RC, 2017)	0.46
" Six dosage of biochar [low dosage of biochar (LDB) - 2%, 4% and 6%; and higher dosage of biochar (HDB) - 8%, 12% and 18%] were amended to a mixture of SS and wheat straw (4:1 ratio on dry weight basis) and compared to control or without additive."	( Heterogeneity of biochar amendment to improve the carbon and nitrogen sequestration through reduce the greenhouse gases emissions during sewage sludge composting. Awasthi, MK; Awasthi, SK; Chen, H; Li, DS; Li, R; Ren, X; Shen, F; Wang, M; Wang, Q; Zhang, Z; Zhao, J, 2017)	0.46
" Our goal was to investigate the effect of polymer type and dosage conditions on dewatering performance and biogas production in a lab-scale RT system."	( Investigation of the role of flocculation conditions in recuperative thickening on dewatering performance and biogas production. Cobbledick, J; Latulippe, DR; Rollings-Scattergood, S; Zhang, V, 2017)	0.46
"05) with increasing dosage of ADY."	( Effects of dietary supplementation of active dried yeast on fecal methanogenic archaea diversity in dairy cows. Jin, D; Kang, K; Peng, Q; Wang, H; Wang, L; Wang, Z; Xu, F; Xue, B, 2017)	0.46
" The results indicated that the continuous dosing (0."	( Potential impact of methyl isobutyl ketone (MIBK) on phenols degradation in an UASB reactor and its degradation properties. Hu, Z; Sierra, JM; Wang, W; Yang, K; Yuan, S; Zhang, X, 2017)	0.46
" Experimental results showed the effect of NaCl on methane production was dosage dependent."	( Potential impact of salinity on methane production from food waste anaerobic digestion. Chen, F; Li, X; Liu, Y; Wang, D; Yang, Q; Zeng, G; Zhao, J, 2017)	0.99
" Dosage for each of the AMPs, however, was high with adverse side effects."	( Comparative efficacy analysis of anti-microbial peptides, LL-37 and indolicidin upon conjugation with CNT, in human monocytes. Aich, P; Das, D; Guha, D; Murmu, KC; Pradhan, B; Ray, P; Sur, A, 2017)	0.46
"In this study, we reported that upon conjugation with carbon nanotubes (CNT), each AMP remained biologically functional at a concentration that was 1000-fold less than the dosage required for free AMP to remain active in the cells."	( Comparative efficacy analysis of anti-microbial peptides, LL-37 and indolicidin upon conjugation with CNT, in human monocytes. Aich, P; Das, D; Guha, D; Murmu, KC; Pradhan, B; Ray, P; Sur, A, 2017)	0.46
" The bioaccumulation of PFOS in fish tissues (liver, intestines, gills and brain) decreased with increasing dosage of SWCNT, however, the opposite trend was observed in fish skin, which indicated that the bioavailability of PFOS changed by adsorption on SWCNT."	( Effect of single-wall carbon nanotubes on bioconcentration and toxicity of perfluorooctane sulfonate in zebrafish (Danio rerio). He, Y; Li, Y; Liu, M; Men, B; Wang, D; Xu, H, 2017)	0.46
" Experimental results showed that with the addition dosage of AR increasing from 0 to 400 mg/g dry sludge soluble chemical oxygen demand (COD) increased from 1150 to 5240 mg/L at the digestion time of 5 d, while the maximal production of volatile fatty acids (VFA) increased from 82."	( Aged refuse enhances anaerobic digestion of waste activated sludge. Gui, L; Li, X; Liu, Y; Ni, BJ; Wang, D; Wang, Q; Xu, R; Yang, Q; Zeng, G; Zhao, J, 2017)	0.46
" The effect of the prepared MWCNTs dosage were investigated on the Turbidity, Iron (Fe) and Lead (Pb) removal efficiency of coal washery effluent."	( Effects of aspect ratio of multi-walled carbon nanotubes on coal washery waste water treatment. Abdulkareem, SA; Aliyu, A; Kariim, I, 2017)	0.46
"MS (16ml/kg) was administered at different dosing frequencies on mice with cerulein-induced AP."	( Methane-rich saline alleviates cerulein-induced acute pancreatitis by inhibiting inflammatory response, oxidative stress and pancreatic apoptosis in mice. Deng, X; Fa, Z; Fei, M; Wang, J; Wang, L; Xie, Q; Zhang, Y, 2017)	1.9
"01) with EN in a dose-response manner, but total blood methemoglobin levels for all treatments were low, below the detection limit."	( Effects of encapsulated nitrate on growth performance, carcass characteristics, nitrate residues in tissues, and enteric methane emissions in beef steers: Finishing phase. Araujo, RC; Beauchemin, KA; Koenig, KM; Lee, C, 2017)	0.66
" According to a large literature based on successful experiments at lab scale, an attempt to artificially granulate the industrial reactor biomass through the dosage of a cationic polymer was also tested but equally failed."	( Strategy to identify the causes and to solve a sludge granulation problem in methanogenic reactors: application to a full-scale plant treating cheese wastewater. Baron, O; El Mamouni, R; Esquivel, M; Guiot, SR; Laguna, A; Macarie, H; Monroy, O, 2018)	0.48
" The results showed that AC accelerated the decomposition of edible oil in food waste, enhancing the conversion of food waste to methane with the optimized dosage of 12 g AC per reactor."	( Metagenomic insight into the microbial networks and metabolic mechanism in anaerobic digesters for food waste by incorporating activated carbon. Dai, Y; Loh, KC; Mao, L; Tong, YW; Zhang, J; Zhang, L, 2017)	0.66
" The desired release profile was achieved by developing an oral dosage form containing lovastatin and coated with 2 different enteric polymers that enabled a pH-dependent "dual pulse" drug release."	( Development of a Modified-Release Formulation of Lovastatin Targeted to Intestinal Methanogens Implicated in Irritable Bowel Syndrome With Constipation. Bristol, A; Chadwick, A; Coughlin, O; Hubert, S; Kokai-Kun, J; Wacher, V, 2018)	0.48
" Contrary to the anaerobic floc, insignificant inhibition of nZVI at dosage lower than 30 mmoL/L on the activity of AGS was observed."	( Impact of zero-valent iron nanoparticles on the activity of anaerobic granular sludge: From macroscopic to microcosmic investigation. He, CS; He, PP; Li, LL; Lin, Y; Mu, Y; Yang, HY; Yu, HQ, 2017)	0.46
" Experimental results showed the optimal C/N and ozone dosage for methane production was 24:1 and 90 mg/g suspended solids, and the corresponding methane production was 203."	( An efficient method to improve the production of methane from anaerobic digestion of waste activated sludge. Huang, S; Jia, H; Li, X; Xu, X; Zhou, Y, 2017)	0.95
"The toxicity of inclusion compounds formed by carbon nanostructures depends on its functionalized surface, use of solvents, dosage and other properties."	( Inclusion complexes between cisplatin and oxidized carbon nanostructures: A theoretical approach. Costa, LT; De Almeida, WB; De Souza, LA; Dos Santos, HF, 2018)	0.48
" Response surface methodology was then successfully employed to optimize the dosage of ARM and possible additional electron donor required for ADAB under different conditions."	( Understanding azo dye anaerobic bio-decolorization with artificial redox mediator supplement: Considering the methane production. Chen, X; Dai, R; Wang, F; Wang, Y; Xiang, X, 2018)	0.69
" A range of controlled methane fluxes from a so-called artificial reference cow were dosed in a feed bin, and its exhaled air was sampled by a tube inside the feeder and analyzed."	( Uncertainty assessment of the breath methane concentration method to determine methane production of dairy cows. Koerkamp, PWGG; Ogink, N; Wu, L, 2018)	1.06
" Batch experiments such as solution pH, dosage of adsorbents, contact time, concentration of the picric acid and temperature were achieved to study sorption process."	( Synthesis, characterization and study of sorption parameters of multi-walled carbon nanotubes/chitosan nanocomposite for the removal of picric acid from aqueous solutions. Khakpour, R; Tahermansouri, H, 2018)	0.48
"3% at a cysteine dosage of 50 mg/L."	( Enhanced Methane Production from Food Waste Using Cysteine To Increase Biotransformation of l-Monosaccharide, Volatile Fatty Acids, and Biohydrogen. Chen, Y; Liu, H, 2018)	0.9
" At higher concentrations of monensin, which we dosed directly to control manure (from dairy cows without monensin), we observed major changes in the microbiome composition and function of two anaerobic digesters."	( Redundancy in Anaerobic Digestion Microbiomes during Disturbances by the Antibiotic Monensin. Angenent, LT; Daly, SE; Spirito, CM; Werner, JJ, 2018)	0.48
"Twenty male Saanen goats were randomly assigned to four levels of lovastatin supplementation and used to determine the optimal dosage and sustainability of naturally produced lovastatin from fermentation of palm kernel cake (PKC) with Aspergillus terreus on enteric methane (CH4) mitigation."	( Effects of naturally-produced lovastatin on feed digestibility, rumen fermentation, microbiota and methane emissions in goats over a 12-week treatment period. Candyrine, SCL; Chen, WL; Ebrahimi, M; Ganesh, S; Garba, S; Goh, YM; Jahromi, MF; Liang, JB; Mahadzir, MF; Muetzel, S; Ronimus, R; Samsudin, AA; Sazili, AQ, 2018)	0.88
" With a biochar dosage of 15 g/L, the system performed well under an organic loading rate as high as 3 g substrate/g inoculums."	( Synergetic promotion of syntrophic methane production from anaerobic digestion of complex organic wastes by biochar: Performance and associated mechanisms. Gao, X; Li, Q; Wang, G; Wang, XC, 2018)	0.76
" During the binding process, the human serum albumin conformation remained unchanged, and there were slight changes as to its secondary structure, but there is no obvious dose-response relationship could be observed."	( [Spectroscopic Studies on the Interaction of Human Serum Albumin and Water-Soluble Carboxyl Carbon Nanotubes]. Liu, SF; Liu, Y; Wu, SR, 2016)	0.43
"4% enhancement of the final biomethane yield, whereas the increase due to TEs dosing was not statistically significant."	( Trace elements dosing and alkaline pretreatment in the anaerobic digestion of rice straw. Esposito, G; Lens, PNL; Mancini, G; Papirio, S; Riccardelli, G, 2018)	0.77
"Using environmentally isolated BALB/C mice in oral and intraperitoneal dosing models, high dose (3."	( The effects of amine-modified single-walled carbon nanotubes on the mouse microbiota. Ling, L; Littmann, ER; McDevitt, MR; Mulvey, JJ; Pamer, EG; Scheinberg, DA, 2018)	0.48
" In the case of GAC and BRH, the 2,4-D removal percentage increased significantly upon increasing the adsorbent dosage and temperature and decreased upon increasing the initial 2,4-D concentration and pH."	( A response surface methodology for optimization of 2,4-dichlorophenoxyacetic acid removal from synthetic and drainage water: a comparative study. Amiri, MJ; Bahrami, M; Beigzadeh, B; Gil, A, 2018)	0.48
" Therefore, it is critical to control the levodopa dosage accuracy to improve the curative effect in clinical."	( Smartphone-based differential pulse amperometry system for real-time monitoring of levodopa with carbon nanotubes and gold nanoparticles modified screen-printing electrodes. Cheng, C; Ji, D; Liu, J; Liu, Q; Liu, Z; Low, SS; Shi, Z; Xu, H; Xu, N; Yu, X; Zhang, T; Zhu, J, 2019)	0.51
" The projected method was practiced successfully to the dosage form and spiked serum."	( Highly Sensitive Voltammetric Sensor Using Carbon Nanotube and an Ionic Liquid Composite Electrode for Xylazine Hydrochloride. El-Shal, MA; Hendawy, HAM, 2019)	0.51
" In addition, the removal kinetics of 2,4-DCP by Fe-Ni/CNTs were in agreement with a pseudo-first-order model, and the rate constants were dependent on a number of factors including the initial concentration of 2,4-DCP, the dosage of Fe-Ni/CNTs, pH value of the solution, and doping amount of Ni."	( Synergistic effect and degradation mechanism on Fe-Ni/CNTs for removal of 2,4-dichlorophenol in aqueous solution. Chun, Y; Fei, Z; Li, C; Liu, Z; Sun, Y; Zhang, A, 2019)	0.51
" The antibiotic effects on MOP and methanotrophs were found to depend on the dosage and type of antibiotics."	( Impacts of sulfanilamide and oxytetracycline on methane oxidation and methanotrophic community in freshwater sediment. Tong, T; Xie, S, 2019)	0.77
" To be effective CpG dosage requirement is high."	( Carbon nanotubes significantly enhance the biological activity of CpG ODN in chickens. Aich, P; Allan, B; Gomis, S; Heer, JM; Tomporowski, J, 2019)	0.51
" Increased levels of DNA damage were observed across doses and time points for both exposure methods, but no dose-response relationship was observed."	( Bau, S; Berthing, T; Chézeau, L; Cosnier, F; Darne, C; Gaté, L; Grossmann, S; Jacobsen, NR; Knudsen, KB; Lorcin, M; Nunge, H; Sébillaud, S; Seidel, C; Valentino, S; Viton, S; Vogel, U; Wallin, H; Wolff, H, 2019)	0.51
" Effect of NaOCl on methane production was negligible for GAC with biofilm (bGAC) samples up to 150 mg NaOCl/g VSS, but was significant for the bulk liquid samples with noticeable lag period over 300 h even at the dosage of 50 mg NaOCl/g VSS."	( Effects of sodium hypochlorite concentration on the methanogenic activity in an anaerobic fluidized membrane bioreactor. Bae, J; Lee, E; Rout, PR; Shin, C, 2019)	0.84
" 2, a greater dosage level of 3-NOP than 100 mg/kg (dietary DM) may need further examination of its effects on feeding behavior of beef cattle."	( Effects of 3-nitrooxypropanol on enteric methane production, rumen fermentation, and feeding behavior in beef cattle fed a high-forage or high-grain diet1. Beauchemin, KA; Campler, MR; Celi, P; Duval, SM; Hettick, JM; Kim, SH; Lee, C; Pairis-Garcia, MD; Pechtl, HA, 2019)	0.78
" In this study, a microbial consortium was enriched via switching nitrate dosing to chromate feeding as the sole electron acceptor under anaerobic condition in a membrane biofilm reactor (MBfR), in which methane was continuously provided as the electron donor through bubble-less hollow fiber membranes."	( Microbial chromate reduction coupled with anaerobic oxidation of methane in a membrane biofilm reactor. Guo, J; Liu, J; Luo, JH; Qian, G; Wu, M; Yuan, Z, 2019)	0.94
"3 mL/g VS with the bentonite dosage from 0 to 2 g/g VS."	( Enhancement of performance and stability of anaerobic co-digestion of waste activated sludge and kitchen waste by using bentonite. Ai, H; Chai, H; Chen, Y; Gu, L; He, Q; Li, L; Shi, D; Yu, Q; Zhao, T, 2019)	0.51
" The dosage of S-nZVI@BC resulted in the formation of densely packed aggregates, evidently increased the extracellular polymeric substances content, promoted the volatile fatty acids transformation and stimulated the methane yield."	( Substantially enhanced anaerobic reduction of nitrobenzene by biochar stabilized sulfide-modified nanoscale zero-valent iron: Process and mechanisms. Jiang, X; Li, J; Liu, X; Mu, Y; Shen, J; Shi, H; Su, G; Wang, L; Zhang, D, 2019)	0.7
"Ferric salt dosing is widely used to mitigate sulfide and methane emissions from sewers."	( Different ferric dosing strategies could result in different control mechanisms of sulfide and methane production in sediments of gravity sewers. Cao, J; Hong, J; Jiang, F; Sun, J; Zhang, L, 2019)	0.98
" Significant aneuploidy was measured in a dose-response from each MWCNT-7, HT, and ND; the highest dose of 24 μg/mL produced 67, 61, and 55%, respectively."	( Mitsui-7, heat-treated, and nitrogen-doped multi-walled carbon nanotubes elicit genotoxicity in human lung epithelial cells. Bauer, AK; Bunker, K; Cena, L; Kashon, ML; Keane, MJ; Lowry, D; Lupoi, JS; Mastovich, J; McCawley, M; Mercer, RR; Porter, DW; Reynolds, SH; Salisbury, JL; Sargent, LM; Siegrist, KJ; Sparrow, M; Stefaniak, AB; Stueckle, TA; Terrones, M; Tsuruoka, S; Wiley, J, 2019)	0.51
" The inactivation of the microorganisms in sewer biofilms by Fe(VI) could be accomplished within 15 min for a single dosing event and the biocidal effect could be enhanced by applying pulse dosing strategy."	( Rapid and strong biocidal effect of ferrate on sulfidogenic and methanogenic sewer biofilms. Dai, X; Kenjiahan, A; Ni, BJ; Sun, J; Yan, X; Yuan, Z, 2020)	0.56
" Therefore, it is conceivable that a slight dosage of nitrate would enrich the abundance of DHB in both the UASB and the AnMBR, and provide a sufficient quantity of enzymes for the DMF hydrolysis."	( A comparative long-term operation using up-flow anaerobic sludge blanket (UASB) and anaerobic membrane bioreactor (AnMBR) for the upgrading of anaerobic treatment of N, N-dimethylformamide-containing wastewater. Kato, H; Kong, Z; Li, L; Li, YY; Wang, T; Xue, Y, 2020)	0.56
"5 mg/L, adsorbent dosage 1 g/L and pH = 6."	( Adsorptive removal of endocrine disrupting compounds from aqueous solutions using magnetic multi-wall carbon nanotubes modified with chitosan biopolymer based on response surface methodology: Functionalization, kinetics, and isotherms studies. Dehghani, MH; Es'haghi, Z; Mesdaghinia, A; Mohammadi, AA; Yaghmaian, K, 2020)	0.56
" A suitable dosage (e."	( Performance of enhanced anaerobic digestion with different pyrolysis biochars and microbial communities. Feng, J; Jing, Y; Luo, J; Shen, R; Yu, J; Zhao, L, 2020)	0.56
" With the dosage of roxithromycin increasing from 0 to 1000 μg/L, the maximum cumulative methane production decreased from 163."	( Impact of roxithromycin on waste activated sludge anaerobic digestion: Methane production, carbon transformation and antibiotic resistance genes. Dai, X; Ni, BJ; Sun, J; Wei, W; Zeng, S, 2020)	1.01
" Initially, RLD dosage and pH were optimized for liquefied organic content release."	( Disperser coupled rhamnolipid disintegration of pulp and paper mill waste biosolid: Characterisation, methane production, energy assessment and cost analysis. Arunagiri, A; Ashokkumar, M; Banu, JR; Sethupathy, A; Sivashanmugam, P, 2020)	0.77
"59 mL/L/d when fly ash was added at a dosage of 150 mg/L in biochemical methane potential tests compared with tests with no added ash."	( Fly ash as stimulant for anaerobic digestion: effect over hydrolytic stage and methane generation rate. Barahona, A; Borja, R; Carvajal, A; Da Silva, C; Guerrero, L; Huiliñir, C; Montalvo, S; Peirano, C; Toledo, M, 2019)	0.97
"This study determined the optimum gamma irradiation dosage to sterilize sodium hyaluronate (HY), single-walled carbon nanotubes (SWCNT), multi-walled carbon nanotubes (MWCNT) and CNT functionalized with HY (HY-SWCNT and HY-MWCNT), evaluated the structural integrity of the materials and assessed whether sterilized materials kept biological properties without affecting renal function."	( Carbon nanotubes functionalized with sodium hyaluronate: Sterilization, osteogenic capacity and renal function analysis. Almeida, TCS; Andrade, VB; Caliari, MV; Corrêa Junior, A; Ferreira, AJ; Joviano-Santos, JV; Ladeira, LCD; Ladeira, LO; Martins-Júnior, PA; Vieira, MAR, 2020)	0.56
" Additionally, the lack of environmental monitoring data and the fragmented knowledge on ENM modes of action prevent to establish dose-response relationships."	( Fractional Exhaled Nitric Oxide and Nanomaterial Exposure in Workplaces. Fontana, L; Iavicoli, I; Leso, V; Macrini, MC; Pelclova, D, 2020)	0.56
"This study investigated whether bioaugmentation can improve the anaerobic digestion (AD) performance of food waste (FW), as well as the effects of addition dosage and frequency on the bioaugmentation's performance and economic feasibility."	( Bioaugmentation to enhance anaerobic digestion of food waste: Dosage, frequency and economic analysis. He, Y; Jiang, J; Li, L; Li, Y; Sun, Y; Wang, C, 2020)	0.56
" Fast and accurate determination of oxycodone blood concentration would enable personalized dosing and monitoring of the analgesic as well as quick diagnostics of possible overdose in emergency care."	( Electrochemical Detection of Oxycodone and Its Main Metabolites with Nafion-Coated Single-Walled Carbon Nanotube Electrodes. Jiang, H; Kalso, E; Kauppinen, EI; Koskinen, J; Laurila, T; Lilius, T; Mikladal, B; Mynttinen, E; Sainio, S; Varjos, I; Wester, N, 2020)	0.56
" Effects of reaction medium, temperature, and enzyme dosage were also investigated."	( Synthesis of substituted 2H-chromenes catalyzed by lipase immobilized on magnetic multiwalled carbon nanotubes. Chen, Y; Li, Y; Liu, J; Wang, L; Xu, Y; Zhang, L; Zhang, M; Zhao, W, 2021)	0.62
" The experiments were carried out based on a Box-Behnken design (BBD) with the input variables of MWCNTs dosage (0."	( Adsorption onto MWCNTs Coupled with Cloud Point Extraction for Dye Removal from Aqueous Solutions: Optimization by Experimental Design. Osaghi, B; Safa, F, 2021)	0.62
" Our results show inconsistent patterns of association between hydraulic fracturing, preterm birth and reduced birthweight, and effect estimates did not match expected dose-response relationships."	( Density and proximity to hydraulic fracturing wells and birth outcomes in Northeastern British Columbia, Canada. Bosson-Rieutort, D; Caron-Beaudoin, É; Liu, S; Verner, MA; Wendling, G; Whitworth, KW, 2021)	0.62
" The negative effect on body N retention and lack of effect on methane emissions make the use of the extract in the dosage applied not appealing."	( Effects of dietary grapeseed extract on performance, energy and nitrogen balance as well as methane and nitrogen losses of lambs and goat kids. Kreuzer, M; Leparmarai, PT; Liesegang, A; Marquardt, S; Ortmann, S; Sinz, S, 2021)	1.08
" However, current treatments require frequent dosing that results in unstable plasma concentration and low bioavailability, risking serious adverse reactions."	( Molecularly Imprinted Polymers Doped with Carbon Nanotube with Aid of Metal-Organic Gel for Drug Delivery Systems. Chai, MH; Huang, YP; Liu, ZS; Yao, HF; Zhao, L, 2020)	0.56
" Proton pump inhibitor (PPI) was dosed for mitigating the accumulation in anaerobic digestion with ammonia stress, with respect to kinetics."	( Effect of proton pump inhibitor on microbial community, function, and kinetics in anaerobic digestion with ammonia stress. De Jaegher, B; Liu, J; Sui, Q; Wei, Y; Yu, D; Zhang, Q; Zheng, X, 2021)	0.62
" With increasing ZVI dosage to 10 g/L, the performances of digestion systems were improved to maintain the systems stable."	( Dual roles of zero-valent iron in dry anaerobic digestion: Enhancing interspecies hydrogen transfer and direct interspecies electron transfer. Yang, Y; Zhang, Y; Zhao, Z; Zhu, Y, 2020)	0.56
" The dose-response relation is relevant in biological tests due to its use for determining appropriate dosages for drugs and toxicity limits."	( Development of an accurate method for dispersion and quantification of carbon nanotubes in biological media. Fanarraga, ML; González-Legarreta, L; Renero-Lecuna, C; Valiente, R, 2020)	0.56
" Both Desulfovibrio and Geobacter possessed the potential of extracellular electron transfer, which might be the advantage of ethanol dosage for enhancing methanogenesis through direct interspecies electron transfer."	( New insights into the effect of ethanol and volatile fatty acids proportions on methanogenic activities and pathways. Du, J; Gu, M; Wu, G; Yin, Q, 2021)	0.62
" Biodegradation was evaluated based on methane generation to assess (i) the lag-time between the start of liquid dosing and onset of methane generation and (ii) the first-order decay rate for methane generation."	( The influence of moisture enhancement on solid waste biodegradation. Bareither, CA; Karimi, S, 2021)	0.89
" In this study, concentration-dependent effects of anthraquinone-2-sulfonate (AQS) and cysteine on glucose digestion were firstly demonstrated: low dosage of AQS and cysteine (50 and 100 µM, respectively) had highest methane yield (133."	( Syntrophic butyrate-oxidizing methanogenesis promoted by anthraquinone-2-sulfonate and cysteine: Distinct tendencies towards the enrichment of methanogens and syntrophic fatty-acid oxidizing bacteria. Cai, G; Li, C; Li, J; Lv, N; Pan, X; Wang, R; Zhou, M; Zhu, G, 2021)	0.81
" 1B is not appropriate, based on the fact that rat mammary and harderian tumors are likely not relevant to humans and lung and liver tumors reported in mice were equivocal in their dose-response and statistical significance."	( Hazard characterization of carcinogenicity, mutagenicity, and reproductive toxicity for short chain primary nitroalkanes. Garnick, L; Gillie, C; Kozal, J; Maier, A; Monnot, A; Quinn, J; Spencer, P, 2021)	0.62
"62% higher than the control group without magnetite in the 6th day, especially with the dosage of 100 mg/L."	( Effect of nano-magnetite on the propionic acid degradation in anaerobic digestion system with acclimated sludge. Chen, T; Li, J; Shen, D; Yin, J, 2021)	0.62
"The North American Consensus guidelines for glucose breath testing (GBT) for small intestinal bacterial overgrowth (SIBO) incorporated changes in glucose dosing and diagnostic cutoffs."	( How the North American Consensus Protocol Affects the Performance of Glucose Breath Testing for Bacterial Overgrowth Versus a Traditional Method. Armstrong, M; Baker, JR; Chey, WD; Collins, K; Dupati, A; Harer, K; Hasler, WL; Lee, AA; Menees, S; Saad, RJ; Watts, L, 2021)	0.62
"In this study, the anaerobic digestion (AD) applications of early & late biochar dosage were compared for municipal leachate treatment, with the objective of studying the flexible use of biochar as a mitigation measure for biomethane recovery."	( Timing of biochar dosage for anaerobic digestion treating municipal leachate: Altered conversion pathways of volatile fatty acids. Lee, JTE; Lim, EY; Tong, YW; Tsui, TH; Zhang, L, 2021)	0.81
"3 mL/g Volatile Suspended Solids (VSS) with dosage increasing from 0 (control) to 40 mg SLS/g TSS."	( Enhancing methane production from anaerobic digestion of waste activated sludge with addition of sodium lauroyl sarcosinate. Du, W; Huang, X; Li, X; Wang, D; Yang, Q; Zhang, J, 2021)	1.02
" Results regarding activities of microorganisms and morphology and properties of sludge were described and commented, and future research needs were also proposed which included better understanding of the roles of DIET in each step of anaerobic digestion, mechanisms of metabolism of pollutants in DIET-established systems and inhibition of excessive dosage of conductive materials."	( Enhancing anaerobic digestion process with addition of conductive materials. Li, X; Liu, Y; Tan, Z; Wu, S; Yang, C, 2021)	0.62
" MWCNTs were dosed by intratracheal instillation at 18 or 54 μg/mouse (∼0."	( Safe-by-design strategies for lowering the genotoxicity and pulmonary inflammation of multiwalled carbon nanotubes: Reduction of length and the introduction of COOH groups. Allard, S; Bobyk, L; Carriere, M; Hadrup, N; Knudsen, KB; Mayne-L'Hermite, M; Miserque, F; Pibaleau, B; Pinault, M; Vogel, U; Wallin, H, 2021)	0.62
" In this work, the feasibility of combining low dosage pre-ozonation with the GDM process was evaluated in the treatment of SGW."	( Can pre-ozonation be combined with gravity-driven membrane filtration to treat shale gas wastewater? Li, T; Li, X; Lin, D; Liu, B; Shi, M; Tang, P; Tiraferri, A; Zhang, W; Zhang, Y, 2021)	0.62
" Ultrasensitive drug determination from its dosage form and/or biological samples with carbon nanotubes can be realized after surface modification."	( The Power of Carbon Nanotubes on Sensitive Drug Determination Methods. Abdullayeva, S; Bakirhan, NK; Dedeoglu, A; Gahramanova, G; Jabbarov, R; Kaya, SI; Ozkan, CK; Ozkan, SA; Ozkan, Y; Savaser, A, 2023)	0.91
" Alkali dosage and resulting initial pH have a significant effect on BY increase and showed to have an optimum range of 40-60 mg NaOH per g total solids (TS) of sludge."	( Impact of process parameters of thermal alkaline pretreatment on biogas yield and dewaterability of waste activated sludge. Barjenbruch, M; Loderer, C; Remy, C; Toutian, V, 2021)	0.62
" The identification of sulfide generation hotspots will greatly help determine how to economically control sulfide generation by chemical dosing or pipe structural modification."	( Rapid dynamic quantification of sulfide generation flux in spatially heterogeneous sediments of gravity sewers. Huang, X; Li, H; Liu, Y; Qiao, L; Ren, D; Zuo, Z, 2021)	0.62
" Importantly, a low dosage of BPQDs can effectively protect tissues from reactive oxygen species (ROS)-mediated damage in acute kidney and liver injury, which was real-time monitored by responsive NIR-II fluorescence imaging."	( NIR-II Fluorescent Biodegradable Nanoprobes for Precise Acute Kidney/Liver Injury Imaging and Therapy. Fu, Q; Ge, X; Li, Q; Liao, N; Song, J; Su, L; Yang, H; Yang, L; Zhang, X, 2021)	0.62
" One of each pair was dosed with trace elements (TE) known to be essential to the transition, with the other unsupplemented digester acting as a control."	( Dynamic changes in anaerobic digester metabolic pathways and microbial populations during acclimatisation to increasing ammonium concentrations. Alessi, AM; Banks, CJ; Chong, JPJ; Heaven, S; Zhang, W, 2021)	0.62
"Development of dosage form comprising of Capecitabine loaded carbon nanotubes for its targeted delivery to the colon."	( Colon targeted dosage form of Capecitabine using folic acid anchored modified carbon nanotube: Bhinge, SD; Bhutkar, MA; Gavade, AS; Jadhav, NR; Randive, DS; Shejawal, KP, 2021)	0.62
" However, these strategies require perpetual dosing of chemicals, increasing cost and operation complexity."	( Sewage sludge digestion beyond biogas: Electrochemical pretreatment for biochemicals. Chen, G; Hao, T; Khanal, SK; Zan, F; Zeng, Q, 2022)	0.72
" The optimal ratio of activated carbon to iron and the optimal dosage of co-substrate (glucose = 1500 mg/L) were investigated by batch tests."	( Enhanced degradation of phenolic compounds in coal gasification wastewater by an iron‑carbon micro-electric field coupled with anaerobic co-digestion. Hong, Y; Huang, T; Li, Y; Qian, J; Wang, M, 2022)	0.72
"Topical treatments for oral wounds and infections exhibit weak adhesion to wet surfaces which results in short retention duration (6-8 hours), frequent dosing requirement and patient incompatibility."	( Fibrillated bacterial cellulose liquid carbene bioadhesives for mimicking and bonding oral cavity surfaces. Lim, S; Singh, J; Steele, TWJ, 2022)	0.72
"The effects of different recovery strategies on inhibited anaerobic digestion (AD) of food waste (FW) was examined in this study, with the finding that dosing pine woodchip biochar could reverse the effect of volatile fatty acids (VFA) inhibition (mainly propionic acid) and yielded 105."	( Abrogating the inhibitory effects of volatile fatty acids and ammonia in overloaded food waste anaerobic digesters via the supplementation of nano-zero valent iron modified biochar. Lee, JTE; Lim, EY; Ong, KC; Tian, H; Tio, ZK; Tong, YW; Zhang, J; Zhang, L, 2022)	0.72
" In this study, pyrolytic carbon was used to enhance the performance of the anaerobic digestion of vinegar residues, which is a much more economic method comparing with dosing commercial-level carbon based materials."	( Novel application of pyrolytic carbon generated from waste tires: Hydrolytic and methanogenic performance promotion in vinegar residue anaerobic digestion. Kong, X; Li, M; Li, X; Liu, J; Niu, J; Yuan, J; Yue, X; Zhang, Q; Zhang, W, 2022)	0.72
" Moreover, the enhancement of potential DAMO rates is positively correlated with the dosage of QNs."	( Quinolone antibiotics enhance denitrifying anaerobic methane oxidation in Wetland sediments: Counterintuitive results. Jiang, H; Liu, C; Wang, X; Yang, Y; Zhao, Y, 2022)	0.97
" Hence, supplying theoretical TM dosage to DPW was necessary to realize the efficient and stable AD process and robust microbial community."	( Characterization of trace metal impact on organic acid metabolism and functional microbial community in treating dairy processing wastewater with thermophilic anaerobic membrane bioreactor. Ha, J; Li, YY; Qin, Y; Song, L; Sun, B; Ye, M; Zhu, A, 2022)	0.72
" However, as the dosage of CIP increased, the ability of microorganisms to degrade intermediates decreased."	( Deciphering the internal mechanisms of ciprofloxacin affected anaerobic digestion, its degradation and detoxification mechanism. Chen, Y; Du, Y; Liu, M; Tang, T, 2022)	0.72
" However, the CMs dosage varied greatly in previous studies and CMs wash out remains a challenge for its application in full-scale plants."	( Enhanced methane production in anaerobic digestion: A critical review on regulation based on electron transfer. Chen, C; Lee, DJ; Ren, NQ; Wang, XT; Xu, XJ; Yan, J; Yuan, QK; Yuan, Y, 2022)	1.14
" The results showed that the optimum dosage of modified hydrochar (MCH) was 15 g/L, and the COD removal rate was increased by 19."	( Effect of corn stover hydrochar on anaerobic digestion performance of its associated wastewater. Peng, P; Song, G; Wang, R; Yin, Q; Zhao, Z, 2022)	0.72
" In this study, Fenton sludge as an Fe(III) source for dissimilatory iron reduction (DIR) was continuously added with increasing dosage into an anaerobic digester to enhance the treatment."	( Continuously feeding fenton sludge into anaerobic digesters: Iron species change and operating stability. Liang, L; Sun, C; Sun, Y; Wang, M; Wang, X; Wang, Z; Zhang, Y, 2022)	0.72
"Anaerobic digestion (AD) is a promising technology to treat waste-activated sludge, previous study proved that methane production could be enhanced with the addition of choline, this work aimed to solve the problem of rapid biodegradability of choline in the AD process by changing its dosing method."	( Successive choline addition enhancing the methanogenesis of waste activated sludge anaerobic digestion: Insight from hydrophilicity, electrochemical performance and microbial community. Jin, R; Lou, Z; Wang, Z; Xu, J; Yuan, H; Zhu, N, 2023)	1.12
" Meanwhile, detail analysis of studies on DIET (from substrates, dosage and effectiveness) via conductive materials was also presented in the study."	( Mechanisms, performance, and the impact on microbial structure of direct interspecies electron transfer for enhancing anaerobic digestion-A review. Feng, L; Gao, Z; He, S; Jiang, J; Wei, L; Zhao, Q; Zhao, W, 2023)	0.91
" This review highlights recent research in anaerobic digestion of PEGs and focuses on essential aspects enhancing anaerobic digestion performance: types and properties of grasses, diverse pretreatments, various co-feedstocks for co-digestion, dosing of different additives, and improvements in reactors."	( Recent advancements in strategies to improve anaerobic digestion of perennial energy grasses for enhanced methane production. Chen, G; Li, H; Mu, L; Pei, L; Song, Y; Yan, B; Zhou, T, 2023)	1.12
" The microbial community structure might be affected by thermo-alkaline pretreatment rather than by the MA dosage in the co-digestion."	( Anaerobic co-digestion of thermo-alkaline pretreated microalgae and sewage sludge: Methane potential and microbial community. Fu, J; Fu, Y; Gui, S; Xia, S; Yan, B, 2023)	1.14
" We used a 1-D diffusion model to relate the local SDC concentration to the spectral response of each SWCNT and created dose-response curves."	( Decoupling Individual Optical Nanosensor Responses Using a Spin-Coated Hydrogel Platform. Alejandro, R; Card, M; Roxbury, D, 2023)	0.91
" The result showed that, under the optimal dosage of 200 mg/L, nano-magnetite addition promoted the anaerobic digestion performance, and the methane production increased by 11."	( Enhancement of methane production in anaerobic digestion of high salinity organic wastewater: The synergistic effect of nano-magnetite and potassium ions. Guan, Q; Huang, Z; Qu, Y; Ruan, W; Shi, W; Zhai, Y; Zhao, M, 2023)	1.46
" While the dosage increased, HA were drastically deconstructed with aromatic cores in SP migrating to extracellular polymeric substances, preventing binding effects on organics and hydrolases."	( Citric acid treatment directly on anaerobic digestor sludge alleviates the inhibitory effect of in-situ generated humic acids by their deconstruction and redistribution. Dai, X; Dong, B; Sun, J; Tang, Y, 2023)	0.91
" Dosing with GDC provides a good biological method for St-EPS degradation and thereby enhances the conversion of WAS to methane."	( Identification and degradation of structural extracellular polymeric substances in waste activated sludge via a polygalacturonate-degrading consortium. Dai, K; Hong, SD; Hu, ZY; Lin, YP; Lu, YZ; Tang, J; van Loosdrecht, MCM; Wang, QT; Wang, S; Wu, J; Zeng, RJ; Zhang, F; Zhang, YX, 2023)	1.12
" Based on a reasonable capacity of urine collection, an intermittent dosing strategy (i."	( Reducing sulfide and methane production in gravity sewer sediments through urine separation, collection and intermittent dosing. Duan, H; Huang, X; Liu, Y; Ren, D; Xing, Y; Zheng, M; Zuo, Z, 2023)	1.23
" Several challenges associated with the use of additives for AD process at collective biogas plant scale requiring further research work are highlighted: elucidation of mechanisms, dosage and combination of additives, environmental assessment, economic feasibility, etc."	( Use of additives to improve collective biogas plant performances: A comprehensive review. Carrère, H; Hamelin, J; Leca, E; Sambusiti, C; Zennaro, B, )	0.13
" This study aimed to evaluate the dose-response of EFE supplementation on the nutrient digestibility, nitrogen and energy utilization, and methane (CH4) emissions of Tan sheep grazed in summer and winter."	( Exogenous fibrolytic enzymes promoted energy and nitrogen utilization and decreased CH4 emission per unit dry matter intake of tan sheep grazed a typical steppe by enhancing nutrient digestibility on China loess plateau. Guo, P; Guo, Z; He, M; Hou, F; Huang, X; Shi, H; Shi, L; Wang, Z; Zhang, Y; Zhou, J, 2023)	1.11
"Chemical dosing is the most used strategy for sulfide and methane abatement in urban sewer systems."	( A critical review of chemical uses in urban sewer systems. Cen, X; Jiang, G; Li, J; Zheng, M, 2023)	1.15
" Here, we used passive dosing and fluorescence-based techniques confirm the partial solubilization of BaPs adsorbed on CNTs by PS in simulated alveolar fluid."	( Dual role of pulmonary surfactant corona in modulating carbon nanotube toxicity and benzo[a]pyrene bioaccessibility. Hu, G; Luo, Z; Xu, D; Xu, Y; Yue, T; Zhao, J, 2023)	0.91
" Capability of the model to dynamically predict trace metal effects on anaerobic digestion under different conditions, like changing dosing conditions and initial iron to sulphide ratio, was also tested and verified."	( Dynamic modelling the effects of ionic strength and ion complexation on trace metal speciation during anaerobic digestion. Esposito, G; Fermoso, FG; Frunzo, L; George, S; Mattei, MR; van Hullebusch, ED, 2023)	0.91
"7 mL/g volatile suspended solids with MBC additive dosage of 1 g/L, increasing by 22."	( Insights into the roles and mechanisms of a green-prepared magnetic biochar in anaerobic digestion of waste activated sludge. He, ZW; Jin, HY; Li, Z; Liu, W; Ren, YX; Tang, CC; Wang, A; Yang, L; Zhou, AJ, 2023)	0.91
"A dose-response experiment was designed to examine the effect of 3-nitrooxypropanol (3-NOP) on methane (CH4) emissions, rumen function and performance of feedlot cattle fed a tempered barley-based diet with canola oil."	( Effect of 3-nitrooxypropanol on enteric methane emissions of feedlot cattle fed with a tempered barley-based diet with canola oil. Almeida, AK; Cowley, F; Hegarty, RS; Karagiannis, A; McGrath, JJ; McMeniman, JP; Tamassia, LFM; Walker, N, 2023)	1.4
" The limited evidence available raises the possibility that organosulfur odorants may pose health risks at exposures much lower than presently understood, though additional dose-response studies are needed to disentangle specific toxicologic effects from nonspecific responses to noxious organosulfur odors."	( Natural gas odorants: A scoping review of health effects. Bernstein, AS; Buonocore, JJ; Domen, JK; Hill, LAL; Lebel, ED; Leventhal, OM; Michanowicz, DR; Nordgaard, CL; Shonkoff, SBC; Williams, SR, 2023)	0.91
" However, the types, properties, sources, and dosage of CMs can influence the process outcomes significantly, along with other process parameters such as the organic loading rates and the type of feedstocks."	( Boosting thermophilic anaerobic digestion with conductive materials: Current outlook and future prospects. Alam, M; Dhar, BR, 2023)	0.91
"This study evaluated the effect of particle size and dosage of granular activated carbon (GAC) on methane production from the anaerobic digestion of raw effluent (RE) of swine wastewater, and the solid (SF) and liquid (LF) fractions."	( Granular activated carbon enhances the anaerobic digestion of solid and liquid fractions of swine effluent at different mesophilic temperatures. Alvarez, LH; Atilano-Camino, MM; Burboa-Charis, VA; Del Angel, YA; García-Reyes, RB; Leyva, LA; Meza-Escalante, ER; Orrantia, M; Serrano-Palacios, D, 2023)	1.13
" Here, we introduced a nitrate dosing method involving an initial high shock followed by low level dosing, tested at two distinct frequencies in a lab-scale sewer reactor <110 days."	( Enhanced mechanistic insights and performance optimization: Controlling methane and sulfide in sewers using nitrate dosing strategies. Chen, Y; Huang, X; Jiang, G; Liang, P; Liu, Y; Min, H; Tang, D; Xing, Y; Zuo, Z, 2024)	1.68
" Increasing the dosage of the -COOH groups on the surface of the CNTs with constant dimension causes an increment in the PAP molecules' solvent accessible surface area (SASA) value, indicating enhanced stability of the PAP molecules."	( Effect of the bare and functionalized single-wall carbon nanotubes on inhibition of asphaltene molecules aggregation: A molecular dynamic simulation. Alemi Mahmoudi, F; Faraji Chanzab, F; Mohammadi, S, 2024)	1.44
" They have the potential to enhance therapeutic outcomes and improve TB patient compliance by providing benefits such as multiple drug encapsulation, sustained release, targeted delivery, reduced dosing frequency, and minimal side effects."	( Advanced drug delivery and therapeutic strategies for tuberculosis treatment. Dyawanapelly, S; Greeny, A; Jose, A; Junnuthula, V; K V, A; Nair, A; Nandan, A; Sadanandan, P; Sah, RK, 2023)	0.91

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Role	Description
fossil fuel	A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth.
greenhouse gas	A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'.
bacterial metabolite	Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
alkane	An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
mononuclear parent hydride
one-carbon compound	An organic molecular entity containing a single carbon atom (C1).
gas molecular entity	Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Methylphosphonate Degradation I	7	11
superpathway of C1 compounds oxidation to CO2	22	32
nitrite-dependent anaerobic methane oxidation	0	8
methane oxidation to methanol II	3	5
methane oxidation to methanol I	11	5
methylphosphonate degradation I	7	17
methylphosphonate degradation II	1	16
methyl-coenzyme M reduction to methane	6	13

Assay ID	Title	Year	Journal	Article
AID23443	Partition coefficient (logP)	1985	Journal of medicinal chemistry, Mar, Volume: 28, Issue:3	Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: a demonstration using Escherichia coli dihydrofolate reductase inhibitors.
AID23718	Partition coefficient in water-hexadecane (P16) was determined	2003	Bioorganic & medicinal chemistry letters, Feb-10, Volume: 13, Issue:3	QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index.
AID23737	Partition coefficient (logP)	2003	Bioorganic & medicinal chemistry letters, Feb-10, Volume: 13, Issue:3	QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index.
AID23729	Partition coefficient in water-cyclohexane was determined	2003	Bioorganic & medicinal chemistry letters, Feb-10, Volume: 13, Issue:3	QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index.
AID23726	Partition coefficient in alkanes was determined	2003	Bioorganic & medicinal chemistry letters, Feb-10, Volume: 13, Issue:3	QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index.
AID26047	logBB, log(C brain / C blood)	1996	Journal of medicinal chemistry, Nov-22, Volume: 39, Issue:24	Computation of brain-blood partitioning of organic solutes via free energy calculations.
AID13316	Solubility in water was determined; values expressed as -log	2003	Bioorganic & medicinal chemistry letters, Feb-10, Volume: 13, Issue:3	QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index.
AID22564	Half-life of the radiolabeled compound was determined	1992	Journal of medicinal chemistry, Jan, Volume: 35, Issue:1	New conformationally restricted 99mTc N2S2 complexes as myocardial perfusion imaging agents.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	2167 (5.68)	18.7374
1990's	796 (2.09)	18.2507
2000's	7243 (18.99)	29.6817
2010's	20160 (52.85)	24.3611
2020's	7778 (20.39)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	249 (0.64%)	5.53%
Reviews	2,740 (7.00%)	6.00%
Case Studies	124 (0.32%)	4.05%
Observational	11 (0.03%)	0.25%
Other	36,018 (92.02%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
acetylcarnitine Acetylcarnitine: An acetic acid ester of CARNITINE that facilitates movement of ACETYL COA into the matrices of mammalian MITOCHONDRIA during the oxidation of FATTY ACIDS.	4.9	1	1	O-acylcarnitine	human metabolite
monoisopropanolamine monoisopropanolamine: possible industrial pollutant; structure. 1-aminopropan-2-ol : Any amino alcohol that is propan-2-ol substituted by an amino group at position 1.	1.96	1	0	amino alcohol; secondary alcohol	Escherichia coli metabolite
ethylene dichloride ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.	2.98	4	0	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
1,2,4-trichlorobenzene 1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.	2.53	2	0	trichlorobenzene
chloroacetaldehyde [no description available]	1.99	1	0	organochlorine compound
2,3-diphosphoglycerate 2,3-Diphosphoglycerate: A highly anionic organic phosphate which is present in human red blood cells at about the same molar ratio as hemoglobin. It binds to deoxyhemoglobin but not the oxygenated form, therefore diminishing the oxygen affinity of hemoglobin. This is essential in enabling hemoglobin to unload oxygen in tissue capillaries. It is also an intermediate in the conversion of 3-phosphoglycerate to 2-phosphoglycerate by phosphoglycerate mutase (EC 5.4.2.1). (From Stryer Biochemistry, 4th ed, p160; Enzyme Nomenclature, 1992, p508). 2,3-bisphosphoglyceric acid : A bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3.	2.38	2	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.	4.93	2	1	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
3-cyanopyridine pyridine-3-carbonitrile: structure in first source. 3-pyridinecarbonitrile : A nitrile that is pyridine substituted by a cyano group at position 3.	2.6	1	0	nitrile; pyridines
acetoacetic acid acetoacetic acid : A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.	2.36	2	0	3-oxo fatty acid; ketone body	metabolite
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.15	1	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	4.3	5	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
4-hydroxyphenylacetic acid 4-hydroxyphenylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.	2.44	2	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.	2.73	3	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	2.45	2	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.	6.25	10	1	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	10.73	153	1	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	9.37	20	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
acetamide acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.	8.15	5	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	6.67	52	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
adenine [no description available]	8.45	44	1	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
adipic acid adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane.	2.7	3	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
curdlan D-hexose : A hexose that has D-configuration at position 5.	2.73	3	0	hexose
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	17.12	843	13	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
anthranilic acid anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.	2.06	1	0	aminobenzoic acid	human metabolite; mouse metabolite
arsenic acid arsenic acid: RN given refers to orthoarsenic acid(H3AsO4); see also sodium arsenate. arsenic acid : An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom.	2.73	3	0	arsenic oxoacid	Escherichia coli metabolite
quinacrine Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.	1.94	1	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
beta-alanine [no description available]	2.15	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
benzaldehyde [no description available]	3.67	9	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzene [no description available]	8.49	140	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	4.19	17	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
benzyl alcohol Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.	8.34	6	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
betaine glycine betaine : The amino acid betaine derived from glycine.	5.64	24	0	amino-acid betaine; glycine derivative	fundamental metabolite
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	5.14	45	0	halide anion; monoatomic bromine
butyraldehyde [no description available]	2.55	2	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
2,3-butylene glycol 2,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-2,3-diol : A butanediol in which hydroxylation is at C-2 and C-3.	2.69	2	0	butanediol; glycol; secondary alcohol
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	4.58	25	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	6.29	33	1	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
cadaverine [no description available]	2.78	3	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
carbamates [no description available]	4.32	19	0	amino-acid anion
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	12.21	391	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	13.84	93	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
carnitine [no description available]	5.7	6	1	amino-acid betaine	human metabolite; mouse metabolite
catechol [no description available]	4.74	28	0	catechols	allelochemical; genotoxin; plant metabolite
chlordecone [no description available]	3.79	3	0	cyclic ketone; organochlorine compound	insecticide; persistent organic pollutant
chloroacetic acid chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.	2.46	2	0	chlorocarboxylic acid; haloacetic acid	alkylating agent; herbicide
choline [no description available]	7.99	38	1	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	7.51	23	1	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	12.09	104	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	9.89	34	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
coproporphyrinogen iii [no description available]	2.49	2	0	coproporphyrinogen	Escherichia coli metabolite; mouse metabolite
coumarin 2H-chromen-2-one: coumarin derivative	8.03	4	0	coumarins	fluorescent dye; human metabolite; plant metabolite
2-cresol 2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene.	2.39	2	0	cresol	human xenobiotic metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	3.59	8	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group.	1.95	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
3-cresol 3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.	2.73	3	0	cresol	human xenobiotic metabolite
octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.	3.32	6	0	alkane	xenobiotic
phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.	3.17	4	0	benzenetriol; phenolic donor	algal metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	9.07	13	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
4-nitrophenylphosphate nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.	2.13	1	0	aryl phosphate	mouse metabolite
octanoic acid octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.	4.16	3	1	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
beta-lysine beta-lysine: RN given refers to parent cpd	2.01	1	0
2-nitropropane 2-nitropropane: RN given refers to cpd with locant for nitro moiety in 2 position. 2-nitropropane : A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120degreeC).	2.41	2	0	secondary nitroalkane	carcinogenic agent; hepatotoxic agent; polar aprotic solvent; xenobiotic
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	13.52	191	3	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
4-aminophenol 4-aminophenol: RN given refers to parent cpd. 4-aminophenol : An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.	3.96	12	0	aminophenol	allergen; metabolite
3-hydroxybutyric acid 3-Hydroxybutyric Acid: BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.. 3-hydroxybutyric acid : A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.	11.57	13	1	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
3-chlorobenzoic acid [no description available]	2.03	1	0	monochlorobenzoic acid	drug metabolite
caprylic aldehyde caprylic aldehyde: structure in Merck Index, 9th ed, #1765. octanal : A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid).	2.05	1	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	plant metabolite
n(1)-methylnicotinamide N(1)-methylnicotinamide: RN given refers to parent cpd. 1-methylnicotinamide : A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent.	2.03	1	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	3.54	8	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.	2.21	1	0	N-acylglycine	human blood serum metabolite; uremic toxin
4-aminoimidazole 4-aminoimidazole: structure in first source. 4-aminoimidazole : An aminoimidazole that is 1H-imidazole substituted by an amino group at position 4.	2.6	1	0	aminoimidazole
methylmalonic acid Methylmalonic Acid: A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.. methylmalonic acid : A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.	2.25	1	0	C4-dicarboxylic acid	human metabolite
malic acid malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.	4.06	14	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
propionaldehyde propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure. propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals.	1.99	1	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
1-aminocyclopropane-1-carboxylic acid 1-aminocyclopropanecarboxylic acid : A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position.	2.08	1	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
4-nitrobenzaldehyde 4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.	2.44	2	0	benzaldehydes; C-nitro compound
phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.	2.71	3	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid 3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.	3.41	7	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.. 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.	2.76	3	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
dibenzofuran Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	2.6	1	0	dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene	xenobiotic
creatine [no description available]	2.7	3	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
cytosine [no description available]	5.87	30	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	10.3	143	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
diacetyl butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.	3.13	5	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone [no description available]	2.04	1	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylamine [no description available]	4.42	6	0	methylamines; secondary aliphatic amine	metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	12.45	38	1	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
ethanolamine [no description available]	8.43	7	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	11.33	111	2	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formamide formimidic acid : A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group.. primary carboxamide : A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.	1.96	1	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
glutaric acid glutaric acid: RN given refers to parent cpd. glutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.	2.05	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
glycine [no description available]	7.52	55	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	10.95	107	3	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
glycolaldehyde [no description available]	2.08	1	0	glycolaldehydes	fundamental metabolite; human metabolite
glycolic acid glycolic acid: RN given refers to parent cpd. glycolic acid : A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.	2.07	1	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
glyoxylic acid glyoxylic acid: RN given refers to parent cpd. glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom.	2.96	4	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
carbonic acid Carbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed)	2.44	2	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom	11.58	38	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.	7.38	35	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
histamine [no description available]	7.52	11	2	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	23.06	1,755	48	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
hydroquinone [no description available]	9.6	24	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.	8.81	11	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	11.27	26	0	imidazole
indole [no description available]	5.24	16	0	indole; polycyclic heteroarene	Escherichia coli metabolite
indoleacetic acid indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.	3.05	4	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	5.19	47	0	diatomic iodine	nutrient
itaconic acid itaconic acid : A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group.	2.25	1	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
2-keto-3-deoxyoctonate [no description available]	2.01	1	0
dihydroxyphenylalanine Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.	4.31	4	1	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	5.45	4	1	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
pipecolic acid pipecolic acid: RN given refers to cpd without isomeric designation. pipecolic acid : A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.. pipecolate : A piperidinecarboxylate that is the conjugate base of pipecolic acid.	2.46	2	0	piperidinemonocarboxylic acid
lipoamide Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin	2.04	1	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	3.38	2	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
methylmercaptan methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure	8.07	28	1	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
pyruvaldehyde Pyruvaldehyde: An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals.. methylglyoxal : A 2-oxo aldehyde derived from propanal.	3.03	4	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	13.81	569	1	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	3.47	2	0	cyclitol; hexol
methyl coenzyme m methyl coenzyme M: RN & N1 from 9th CI Form Index; RN given refers to parent cpd	9.46	23	0	S-substituted coenzyme M
melatonin [no description available]	11.51	7	1	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
croton oil [no description available]	2.35	2	0	N-acyl-hexosamine
acetanilide acetanilide: a phenylacetamide; use ACETANILIDES for the plural group meaning of the singular term. N-phenylacetamide : A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group.	2.6	1	0	acetamides; anilide	analgesic
naphthalene [no description available]	5.87	30	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	12.5	361	2	metal allergen; nickel group element atom	epitope; micronutrient
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	3.75	10	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	2.6	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	14.58	372	10	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.	4.97	35	0	nitrogen oxoacid	protic solvent; reagent
nitroxyl nitroxyl: hydroxamic acid oxidized to nitroxyl free radical. nitroxyl : A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group.	2.46	2	0	nitrogen oxoacid
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	12.98	277	3	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.	14.36	1,025	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
n,n-dimethylaniline N,N-dimethylaniline: RN given refers to parent cpd; structure. dimethylaniline : A methylaniline carrying at least two methyl groups.. N,N-dimethylaniline : A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.	2.95	4	0	dimethylaniline; tertiary amine
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.	2.8	3	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
hydroxide ion [no description available]	5.7	23	0	oxygen hydride	mouse metabolite
orotic acid Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.	2.86	4	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.	8.33	6	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.	3.68	9	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
4-nitrophenol 4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.	4.32	17	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
triphosphoric acid triphosphoric acid: used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative; RN given refers to parent cpd; structure	2.55	2	0	acyclic phosphorus acid anhydride; phosphorus oxoacid
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	3.73	10	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
parathion [no description available]	2.94	4	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
pentachlorophenol PENTA: structure given in first source	4.65	26	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'	5.06	39	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenol [no description available]	8.76	81	1	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.	2.02	1	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
phenethylamine phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.	2.48	2	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoric acid phosphoric acid: concise etchant is 37% H3PO4. phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.	9.73	8	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
phosphoenolpyruvate Phosphoenolpyruvate: A monocarboxylic acid anion derived from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. It is a metabolic intermediate in GLYCOLYSIS; GLUCONEOGENESIS; and other pathways.. phosphoenolpyruvate : A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.. phosphoenolpyruvic acid : A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.	2.66	3	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	3.66	9	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	4.16	15	0	benzenedicarboxylic acid	human xenobiotic metabolite
porphobilinogen [no description available]	2.38	2	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
diphosphoric acid diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.	3.24	5	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
pqq cofactor PQQ Cofactor: A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES.. pyrroloquinoline quinone : A pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions.	5.48	11	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	5.65	5	1	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	3.87	12	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	8.1	70	1	saturated fatty acid; short-chain fatty acid	antifungal drug
pteridines [no description available]	3.23	6	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
purine 1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine.	3	4	0	purine
putrescine [no description available]	2.46	2	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
pyrazinamide pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	2.53	2	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole.	8.66	9	0	pyrazole
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	5.97	32	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.	3.34	7	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).	7.38	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.	2.76	3	0	benzenetriol; phenolic donor	plant metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	3.89	12	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
dimethyl sulfide dimethyl sulfide: structure. dimethyl sulfide : A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.. methyl sulfide : Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group.	10.57	27	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.	4.12	15	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
dithionite Dithionite: Dithionite. The dithionous acid ion and its salts.	2.36	2	0	sulfur oxide; sulfur oxoanion
sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis	3.02	4	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
selenic acid Selenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide.	3.89	10	0	selenium oxoacid
selenious acid Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION.	3.13	4	0	selenium oxoacid
sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).	7.22	30	1	divalent inorganic anion; sulfur oxide; sulfur oxoanion
spermidine [no description available]	3.1	1	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.	5.48	20	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.	11.09	36	0	sulfur oxoacid	catalyst
sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.	8.17	46	1	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
taurine [no description available]	3.55	8	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
thiophane [no description available]	2.31	1	0	saturated organic heteromonocyclic parent; tetrahydrothiophenes
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	3.84	11	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-mercaptoacetate [no description available]	1.96	1	0	sulfur-containing carboxylic acid
thymine [no description available]	10.9	32	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	7.65	109	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethyloxamine trimethyloxamine: used in manufacture of quaternary ammonium cpds; insect attractant; warming agent for gas; oxidant; structure. trimethylamine N-oxide : A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.	2.8	3	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine [no description available]	5.79	20	1	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
tryptamine [no description available]	2.07	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	6.84	20	1	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	12.21	111	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	10.79	113	5	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uroporphyrinogen iii Uroporphyrinogens: Porphyrinogens which are intermediates in heme biosynthesis. They have four acetic acid and four propionic acid side chains attached to the pyrrole rings. Uroporphyrinogen I and III are formed from polypyrryl methane in the presence of uroporphyrinogen III cosynthetase and uroporphyrin I synthetase, respectively. They can yield uroporphyrins by autooxidation or coproporphyrinogens by decarboxylation.	2.03	1	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	4.61	7	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	5.91	17	0	xanthine	Saccharomyces cerevisiae metabolite
isocitric acid isocitric acid: RN given refers to unlabeled parent cpd. isocitric acid : A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group.	1.96	1	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
2-amino-5-phosphonovalerate 2-Amino-5-phosphonovalerate: The D-enantiomer is a potent and specific antagonist of NMDA glutamate receptors (RECEPTORS, N-METHYL-D-ASPARTATE). The L form is inactive at NMDA receptors but may affect the AP4 (2-amino-4-phosphonobutyrate; APB) excitatory amino acid receptors.	2	1	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
7-hydroxy-2-n,n-dipropylaminotetralin 7-hydroxy-2-N,N-dipropylaminotetralin: RN given refers to cpd without isomeric designation	2.41	1	0	tetralins
vanilmandelic acid Vanilmandelic Acid: A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.. vanillylmandelic acid : An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.	2.38	2	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
mandelic acid SAMMA: mandelic acid condensation polymer	2.11	1	0	2-hydroxy monocarboxylic acid; benzenes	antibacterial agent; human xenobiotic metabolite
1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases	2.51	2	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,2-dimethylhydrazine 1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice.	1.97	1	0	hydrazines	alkylating agent; carcinogenic agent
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	7.14	60	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
1-methylimidazole 1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.	3.16	5	0	imidazoles
2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.	5.75	26	0	bipyridine	chelator; ferroptosis inhibitor
2,4,5-trichlorophenoxyacetic acid 2,4,5-Trichlorophenoxyacetic Acid: An herbicide with strong irritant properties. Use of this compound on rice fields, orchards, sugarcane, rangeland, and other noncrop sites was terminated by the EPA in 1985. (From Merck Index, 11th ed). (2,4,5-trichlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.	2.17	1	0	chlorophenoxyacetic acid; trichlorobenzene	defoliant; phenoxy herbicide; synthetic auxin
2,4,6-tribromophenol [no description available]	2.08	1	0	bromophenol	environmental contaminant; fungicide; marine metabolite
2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines.	5.64	17	1	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
4-(2,4-dichlorophenoxy)butyric acid 4-(2,4-dichlorophenoxy)butyric acid: structure. 2,4-DB : A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide.	2.13	1	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
2,4-dinitrophenol 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.	2.71	3	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation.	4.6	27	0	alkanethiol; primary alcohol	geroprotector
2-aminoethoxydiphenyl borate 2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd. 2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.	2.05	1	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
amitrole Amitrole: A non-selective post-emergence, translocated herbicide. According to the Seventh Annual Report on Carcinogens (PB95-109781, 1994) this substance may reasonably be anticipated to be a carcinogen. (From Merck Index, 12th ed) It is an irreversible inhibitor of CATALASE, and thus impairs activity of peroxisomes.. amitrole : A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	2.57	2	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
aminopropionitrile Aminopropionitrile: Reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid.	2.15	1	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
3-methylcholanthrene Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.	2.36	2	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
4-aminopyridine [no description available]	2	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.	2.05	1	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
4-nonylphenol 4-nonylphenol: structure in first source; see also record for nonylphenol. 4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.	2.99	4	0	phenols	environmental contaminant
5,5-dimethyl-1-pyrroline-1-oxide 5,5-dimethyl-1-pyrroline-1-oxide: do not confuse with DMPO (4',5'-dihydroxy-7-methoxy-4-phenyl-5,2'-oxidocoumarin). 5,5-dimethyl-1-pyrroline N-oxide : A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation.	3.09	5	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
ethylisopropylamiloride ethylisopropylamiloride: structure in first source. ethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.	1.97	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.	2.89	4	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
7-nitroindazole 7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure	2.11	1	0
oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.	6.01	8	1	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.	2.41	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
2,2'-azobis(2-amidinopropane) 2,2'-azobis(2-amidinopropane): water-soluble free-radical initiator	2.05	1	0	monoazo compound
acebutolol Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.. acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.	2.03	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acephate acephate : A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group.	2.1	1	0	mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	9.79	68	2	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)	3.42	1	1	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetochlor acetochlor : A monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.	2.05	1	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	3.06	4	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alendronate alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.	2.49	2	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
aluminum fluoride [no description available]	2.13	1	0	aluminium coordination entity
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	3.78	2	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
aminoglutethimide Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.. aminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.	3.49	2	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.	2.01	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
theophylline [no description available]	3.89	11	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	2.92	4	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.. amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.	2.48	2	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital Amobarbital: A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565). amobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.	2.03	1	0	barbiturates
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	2.21	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
9-anthroic acid 9-anthroic acid: RN given refers to unlabeled parent cpd; chloride channel blocker; do not confuse with c-ANCA (anti-neutrophil cytoplasmic antibodies) which is frequently abbreviated as ANCA. 9-anthroic acid : An anthroic acid carrying the carboxy substituent at position 9.	2.48	2	0	anthroic acid
antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.	2.44	2	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	3.11	4	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.	2.8	3	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
atrazine [no description available]	4.61	24	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.	1.95	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azobenzene azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.	4.44	6	0	azobenzenes
baclofen [no description available]	2.77	3	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
2,2-bis(4-glycidyloxyphenyl)propane 2,2-bis(4-glycidyloxyphenyl)propane: structure	2.47	2	0	diarylmethane
barbital 5,5-diethylbarbituric acid : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).	2.36	2	0	barbiturates	drug allergen
benserazide Benserazide: An inhibitor of DOPA DECARBOXYLASE that does not enter the central nervous system. It is often given with LEVODOPA in the treatment of parkinsonism to prevent the conversion of levodopa to dopamine in the periphery, thereby increasing the amount that reaches the central nervous system and reducing the required dose. It has no antiparkinson actions when given alone.. benserazide : A carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide has no antiparkinson actions when given alone.	2.71	3	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
bentazone bentazone: RN given refers to parent cpd; structure. bentazone : A benzothiadiazine that is 1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide substituted by an isopropyl group at position 3.	2.17	1	0	benzothiadiazine	environmental contaminant; herbicide; xenobiotic
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.17	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	4.13	14	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.	3.86	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide benzothiazide: structure. benzthiazide : 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.	4.61	1	1	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
butylbenzyl phthalate spatozoate: structure in first source	2.31	1	0	benzyl ester
berberine [no description available]	3.04	3	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.	2.03	1	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
propiolactone Propiolactone: Disinfectant used in vapor form to sterilize vaccines, grafts, etc. The vapor is very irritating and the liquid form is carcinogenic.	2.6	1	0	propan-3-olide
betahistine Betahistine: A histamine analog and H1 receptor agonist that serves as a vasodilator. It is used in MENIERE DISEASE and in vascular headaches but may exacerbate bronchial asthma and peptic ulcers.. betahistine : An aminoalkylpyridine that is pyridine substituted by a 2-(methylamino)ethyl group at position 2. It acts as a histamine agonist and a vasodilator, and is thought to improve the microcirculation of the labyrinth, resulting in reduced endolymphatic pressure. It is used (generally as the hydrochloride or mesylate salt) to reduce the symptoms of vertigo, tinnitus, and hearing loss associated with Meniere's disease.	2.05	1	0	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent
betaxolol [no description available]	2.08	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bay h 4502 bifonazole : A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections.. 1-[biphenyl-4-yl(phenyl)methyl]imidazole : A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1.	1.98	1	0	biphenyls; imidazoles
bisacodyl Bisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871)	1.94	1	0	diarylmethane
bisoprolol Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.	2.06	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bromhexine Bromhexine: A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744). bromhexine : A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum).	2.41	1	0	organobromine compound; substituted aniline; tertiary amino compound	mucolytic
bupivacaine Bupivacaine: A widely used local anesthetic agent.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide : A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.. bupivacaine : A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.	2.06	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
busulfan [no description available]	3.45	8	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine [no description available]	4.98	35	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.78	3	0	aromatic ether; nitrile; polyether; tertiary amino compound
beta-glycerophosphoric acid beta-glycerophosphoric acid: plays role in mineralization of bone in vitro. glycerol 2-phosphate : A glycerol monophosphate having the phosphate group at the 2-position.	2.15	1	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
camphor, (+-)-isomer [no description available]	3.16	5	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
candesartan candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.	2.15	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.	4.44	20	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbamazepine epoxide carbamazepine epoxide: metabolite of carbamazepine; RN given refers to unlabeled cpd. carbamazepine-10,11-epoxide : An epoxide and metabolite of carbamazepine.	1.99	1	0	dibenzoazepine; epoxide; ureas	allergen; drug metabolite; marine xenobiotic metabolite
carbazochrome carbazochrome: a hemostatic which increases capillary resistance & activates platelet factors, Note: Adona is a multimeaning tradename	2.31	1	0
carbofuran Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed)	3.91	11	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
carmustine Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.	2.71	3	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carvedilol [no description available]	2.07	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	4.89	2	1	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
celecoxib [no description available]	2.79	3	0	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cefixime Cefixime: A third-generation cephalosporin antibiotic that is stable to hydrolysis by beta-lactamases.. cefixime : A third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is used in the treatment of gonorrhoea, tonsilitis, pharyngitis, bronchitis, and urinary tract infections.	2.83	3	0
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.5	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	5.78	26	0	quaternary ammonium ion
cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.	2.5	2	0	pyridinium ion
chelerythrine chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.	2.13	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
chloral hydrate [no description available]	8.56	9	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlordiazepoxide Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.	1.95	1	0	benzodiazepine
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	3.04	4	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	3.34	7	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.	9.18	15	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.	1.99	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	9.97	33	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cisapride Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed). cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.	2.4	2	0	benzamides
platinum tetrachloride platinum chloride: RN given refers to cpd with unspecified MF; structure in first source: K2PtCl; see also platinum tetrachloride. platinum dichloride : A platinum coordination entity consisting of platinum(II) bound to two chlorine atoms.	2.1	1	0	platinum coordination entity	catalyst; reagent
citalopram Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.	3.05	4	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clenbuterol Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.	2.82	3	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clioquinol Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.. 5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease.	3.33	1	1	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator
clofibric acid Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.. clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.	2.02	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
clonazepam Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.. clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.	2.21	1	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	2.38	2	0	clonidine; imidazoline
clotrimazole [no description available]	2.42	2	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
4-cresol 4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.	3.6	8	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyclofenil Cyclofenil: A gonadal stimulant and inducer of ovulation. It is used in the treatment of infertility and amenorrhea, but is thought to be less effective than CLOMIPHENE.	1.94	1	0	organic molecular entity
cypermethrin cypermethrin : A carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.. zeta-cypermethrin : A diastereoisomeric mixture comprising the isomeric pair (1R)-cis-(alphaS)- and (1S)-trans-(alphaR)-cypermethrin together with the isomeric pair (1S)-cis-(alphaS)- and (1S)-trans-(alphaS)-cypermethrin where the ratio between the isomeric pairs lies in the range 45:55 to 55:45.	2.03	1	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
cystamine [no description available]	2.02	1	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
dimethyl 2,3,5,6-tetrachloroterephthalate dimethyl 2,3,5,6-tetrachloroterephthalate: structure	2.6	1	0	diester; methyl ester
dapi DAPI: RN given refers to parent cpd.	2.46	2	0	indoles	fluorochrome
dapsone [no description available]	2.44	2	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
decanoic acid decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid.. decanoic acid : A C10, straight-chain saturated fatty acid.	3.45	1	1	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	3.37	7	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	2.66	3	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
nordazepam Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.. nordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.	2.4	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
nonivamide nonivamide: has effect on sensory neurons. nonivamide : A capsaicinoid that is the carboxamide resulting from the formal condensation of the amino group of 4-hydroxy-3-methoxybenzylamine with the carboxy group of nonanoic acid. It is the active ingredient in many pepper sprays.	2.76	2	0	capsaicinoid; phenols	lachrymator
amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.	7.38	2	0	primary amine
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	2.39	2	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazinon Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.. diazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.	3.17	4	0	organic thiophosphate; pyrimidines	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic
dibenzothiophene dibenzothiophene : A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.	2.58	2	0	dibenzothiophenes; mancude organic heterotricyclic parent	keratolytic drug
dibutyl phthalate Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.	4.06	13	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
dicamba Dicamba: A chlorinated organic herbicide.. dicamba : A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.	2.71	3	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
dichlobanil 2,6-dichlorobenzonitrile : A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide.	2.06	1	0	dichlorobenzene; nitrile	agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	5.05	36	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
dichlorodiphenyl dichloroethylene Dichlorodiphenyl Dichloroethylene: An organochlorine pesticide, it is the ethylene metabolite of DDT.	2.99	4	0	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	3.79	11	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
dichlorophen Dichlorophen: Nontoxic laxative vermicide effective for taenia infestation. It tends to produce colic and nausea. It is also used as a veterinary fungicide, anthelmintic, and antiprotozoan. (From Merck, 11th ed.)	2.17	1	0	bridged diphenyl fungicide; diarylmethane
diethyl pyrocarbonate Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid.	2.38	2	0	acyclic carboxylic anhydride
pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.	2.76	3	0	pentacarboxylic acid	copper chelator
3,3'-diindolylmethane 3,3'-diindolylmethane: anti-inflammatory from edible cruciferous vegetables; a cytochrome P-450 antagonist	7.68	3	0	indoles	antineoplastic agent; P450 inhibitor
dimethoate Dimethoate: An organothiophosphorus cholinesterase inhibitor that is used as a systemic and contact insecticide.. dimethoate : A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.	2.15	1	0	monocarboxylic acid amide; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
dimetridazole Dimetridazole: A compound used to treat histomoniasis in poultry.. dimetridazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl groups. An antiprotozoal drug, it has been banned by both the Government of Canada and the European Union as a livestock feed additive owing to suspicions of it being carcinogenic.	2.25	1	0	C-nitro compound; imidazoles	antiparasitic agent; antiprotozoal drug
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	5.71	6	1	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
benzophenone benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.	2.08	1	0	benzophenones	photosensitizing agent; plant metabolite
dipyridamole Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752). dipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.	2.05	1	0	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
disulfiram [no description available]	1.95	1	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
disulfoton Disulfoton: An organothiophosphate insecticide.. disulfoton : An organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate.	2.4	2	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.	3.82	10	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.04	1	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
doxepin Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.	2.05	1	0	dibenzooxepine; tertiary amino compound	antidepressant
eburnamonine [no description available]	2.06	1	0	alkaloid
econazole Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.. 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.	2.15	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
emedastine emedastine: structure given in first source. emedastine : 1-Methyl-1,4-diazepane in which the hydrogen attached to the nitrogen at position 4 is substituted by a 1-(2-ethoxyethyl)-1H-benzimidazol-2-yl group. A relatively selective histamine H1 antagonist, it is used as the difumatate salt for allergic rhinitis, urticaria, and pruritic skin disorders, and in eyedrops for the symptomatic relief of allergic conjuntivitis.	2.25	1	0	benzimidazoles	anti-allergic agent; antipruritic drug; H1-receptor antagonist
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	3.61	2	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
endosulfan Endosulfan: A polychlorinated compound used for controlling a variety of insects. It is practically water-insoluble, but readily adheres to clay particles and persists in soil and water for several years. Its mode of action involves repetitive nerve-discharges positively correlated to increase in temperature. This compound is extremely toxic to most fish. (From Comp Biochem Physiol (C) 1993 Jul;105(3):347-61). endosulfan : A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.	7.76	3	0	cyclic sulfite ester; cyclodiene organochlorine insecticide	acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant
enflurane Enflurane: An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate.. enflurane : An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups.	1.99	1	0	ether; organochlorine compound; organofluorine compound	anaesthetic
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	6.75	10	1
ethacrynic acid Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.	1.95	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	5.26	16	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
profenamine profenamine: was heading 1972-94 (see under PHENOTHIAZINES 1972-90); use PHENOTHIAZINES to search ETHOPROPAZINE 1972-94. profenamine : A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease.	2.04	1	0	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist
ethoxyquin Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.. ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.	2.02	1	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
ethylenediamine ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane.	4.32	18	0	alkane-alpha,omega-diamine	GABA agonist
etidronate Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.	2.35	2	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fenbufen fenbufen: structure; RN given refers to parent cpd	2.17	1	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
fentanyl Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.	2.8	3	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fipronil fipronil: has low mammalian toxicity; structure given in first source. fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil.. 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively.	3.13	4	0	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	2.82	2	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
fluphenazine [no description available]	2.11	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumequine flumequine: structure. flumequine : A racemate comprising equimolar amounts of R- and S-flumequine. A broad-spectrum antibiotic, formerly used in veterinary medicine for stock breeding and treatment of aquacultures.. 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid : A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively.	2.11	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
flunitrazepam Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.. flunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.	2.21	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	10.73	18	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	3.4	6	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	2.85	3	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fomepizole Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.	2.44	2	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
furazolidone Furazolidone: A nitrofuran derivative with antiprotozoal and antibacterial activity. Furazolidone acts by gradual inhibition of monoamine oxidase. (From Martindale, The Extra Pharmacopoeia, 30th ed, p514). furazolidone : A member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It has antibacterial and antiprotozoal properties, and is used in the treatment of giardiasis and cholera.	2.13	1	0	nitrofuran antibiotic; oxazolidines	antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	3.47	7	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	3.49	7	0
glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.	9.68	26	0	dialdehyde	cross-linking reagent; disinfectant; fixative
glutethimide Glutethimide: A hypnotic and sedative. Its use has been largely superseded by other drugs.	3.04	1	0	piperidines
glyphosate glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).	4.04	12	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
gossypol Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.	8.48	1	1
guaifenesin Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.	2.78	3	0	methoxybenzenes
guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.	3.66	9	0	carboxamidine; guanidines; one-carbon compound
1-(5-isoquinolinesulfonyl)-2-methylpiperazine 1-(5-Isoquinolinesulfonyl)-2-Methylpiperazine: A specific protein kinase C inhibitor, which inhibits superoxide release from human neutrophils (PMN) stimulated with phorbol myristate acetate or synthetic diacylglycerol.. 1-(5-isoquinolinesulfonyl)-2-methylpiperazine : A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.	2.15	1	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
fasudil fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.	2.15	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	8.55	64	2	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane [no description available]	3.91	13	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.	2.06	1	0	harmala alkaloid	oneirogen
hexachlorophene Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.	1.93	1	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	2.92	4	0	phenanthridines	fluorochrome; intercalator
hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.	2.15	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea [no description available]	2.9	4	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	4.56	22	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.	3.89	3	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
ifosfamide [no description available]	2.21	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	1.99	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	2.74	3	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
iodoacetamide [no description available]	1.96	1	0
iohexol Iohexol: An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.. iohexol : A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position.	2.54	2	0	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
isoflurane Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.	10.63	5	1	organofluorine compound	inhalation anaesthetic
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	8.73	10	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	4.64	25	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	2.89	4	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	4.61	1	1	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	3.39	6	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
kinetin Kinetin: A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects.. cytokinin : A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots.. kinetin : A member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group.	2.72	2	0	6-aminopurines; furans	cytokinin; geroprotector
kojic acid [no description available]	2.05	1	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
lauric acid dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.	5.62	9	2	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
lomefloxacin lomefloxacin: structure given in first source. lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.	2.13	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loperamide Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	2.4	2	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
loratadine Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.	2.25	1	0	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist
lorazepam Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.	2.07	1	0	benzodiazepine
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	2.15	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.	3.43	7	0	diester; ethyl ester; organic thiophosphate
mebendazole Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.	2.13	1	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mecamylamine Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.	1.94	1	0	primary aliphatic amine
mechlorethamine nitrogen mustard : Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.	3.73	3	0	nitrogen mustard; organochlorine compound	alkylating agent
meclofenoxate Meclofenoxate: An ester of DIMETHYLAMINOETHANOL and para-chlorophenoxyacetic acid.	2.07	1	0	monocarboxylic acid
mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.	2.42	2	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
memantine [no description available]	4.61	1	1	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
mepivacaine Mepivacaine: A local anesthetic that is chemically related to BUPIVACAINE but pharmacologically related to LIDOCAINE. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168). mepivacaine : A piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic.	2.4	2	0	piperidinecarboxamide	drug allergen; local anaesthetic
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	2.76	3	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mescaline Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.. mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.	1.95	1	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	3.37	6	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methacrylic acid methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group.	4.94	10	0	alpha,beta-unsaturated monocarboxylic acid
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	5.8	6	1	benzenes; diarylmethane; ketone; tertiary amino compound
methenamine Methenamine: An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173). hexamethylenetetramine : A polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms.	2.17	1	0	polyazaalkane; polycyclic cage; tetramine	antibacterial drug
methocarbamol Methocarbamol: A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206). methocarbamol : A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.. 2-hydroxy-3-(2-methoxyphenoxy)propyl carbamate : A carbamate ester that is glycerol in which one of the primary alcohol groups has been converted to its 2-methoxyphenyl ether while the other has been converted to the corresponding carbamate ester.	2.48	2	0	aromatic ether; carbamate ester; secondary alcohol
methoxychlor Methoxychlor: An insecticide. Methoxychlor has estrogenic effects in mammals, among other effects.	1.94	1	0	organochlorine insecticide
methoxyflurane Methoxyflurane: An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with NITROUS OXIDE to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180). methoxyflurane : An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl.	9.04	3	1	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
nocodazole [no description available]	2.76	3	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
methyl parathion Methyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.. parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4.	3.99	12	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin
methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid.	6.47	12	1	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
methyl methanesulfonate [no description available]	2.04	1	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
methylphenidate Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.	3.21	1	0	beta-amino acid ester; methyl ester; piperidines
metoclopramide Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.. metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.	2.07	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metolachlor metolachlor: structure given in first source. metolachlor : A racemate that consists of equimolar amounts of (R)- and (S)-metolachlor.. 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide : An organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom.	2.07	1	0	aromatic amide; benzenes; ether; organochlorine compound
metoprolol Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.	2.86	3	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	3.46	7	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.	3.04	1	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	7.06	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	1.96	1	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.. 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.	2.08	1	0	monocarboxylic acid amide; sulfoxide
deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.	2.02	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	8.74	11	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
apnea Apnea: A transient absence of spontaneous respiration.	3.72	2	1	purine nucleoside
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.15	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
niclosamide Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.	2.41	1	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	2.31	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nilutamide [no description available]	2.15	1	0	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent
nimesulide nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.	2.03	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nitroglycerin Nitroglycerin: A volatile vasodilator which relieves ANGINA PECTORIS by stimulating GUANYLATE CYCLASE and lowering cytosolic calcium. It is also sometimes used for TOCOLYSIS and explosives.. nitroglycerol : A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups.. nitroglycerin : A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.	2.46	2	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
nitromide nitromide: antibacterial agent for prevention & treatment of Salmonella pullorum infections in chickens & turkeys & for fowl typhoid & paratyphoid; used in feed; structure	2.48	2	0
nomifensine Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266). nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.	3	4	0	isoquinolines	dopamine uptake inhibitor
norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.	3.72	9	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
norfluoxetine norfluoxetine: metabolite of fluoxetine; RN given refers to parent cpd without isomeric designation	2.21	1	0	(trifluoromethyl)benzenes
octopamine Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates.. octopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.	2.61	2	0	phenylethanolamines; tyramines	neurotransmitter
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	4.05	13	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	2.15	1	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.	2.1	1	0	carbazoles
oxazepam Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.	2.13	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxidopamine Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).	2.88	3	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
oxotremorine Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.	2.65	3	0	N-alkylpyrrolidine
oxybutynin oxybutynin: RN given refers to parent cpd. oxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.	2.58	2	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
oxypertine oxypertine: was heading 1975-94 (see under INDOLES 1975-90); use PIPERAZINES to search OXYPERTINE 1975-94; antipsychotic agent also used in severe depression; it has potentially dangerous side effects	2.02	1	0	organic molecular entity
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	9.06	14	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine Fenclonine: A selective and irreversible inhibitor of tryptophan hydroxylase, a rate-limiting enzyme in the biosynthesis of serotonin (5-HYDROXYTRYPTAMINE). Fenclonine acts pharmacologically to deplete endogenous levels of serotonin.	1.95	1	0	phenylalanine derivative
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	2.65	3	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
4-chlorophenol 4-chlorophenol: used as a root canal irrigant. 4-chlorophenol : A monochlorophenol substituted at the pare position by a chlorine atom.	4	13	0	monochlorophenol
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	2.11	1	0	aromatic amine
patulin Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.. patulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic.	3.86	2	0	furopyran; gamma-lactone; lactol	antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	2.63	3	0	barbiturates	GABAA receptor agonist
pentoxifylline [no description available]	2.45	2	0	oxopurine
phenazopyridine Phenazopyridine: A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.. phenazopyridine : A diaminopyridine that is 2,6-diaminopyridine substituted at position 3 by a phenylazo group. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.	2.08	1	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	8.22	6	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolphthalein Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.	2	1	0	phenols
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	2.49	2	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenoxybenzamine Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.	2.64	3	0	aromatic amine
phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.	1.94	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phosalone phosalone: structure. phosalone : A member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide.	2.05	1	0	1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	2.15	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
pipemidic acid Pipemidic Acid: Antimicrobial against Gram negative and some Gram positive bacteria. It is protein bound and concentrated in bile and urine and used for gastrointestinal, biliary, and urinary infections.. pipemidic acid : A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid substituted at position 2 by a piperazin-1-yl group and at position 8 by an ethyl group. A synthetic broad-spectrum antibacterial, it is used for treatment of gastrointestinal, biliary, and urinary infections.	2	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
piperazine [no description available]	2.52	2	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent.	2.03	1	0	organonitrogen compound; organooxygen compound
pirenzepine Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.	1.97	1	0	pyridobenzodiazepine	anti-ulcer drug; antispasmodic drug; muscarinic antagonist
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	3.77	11	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.	2.7	3	0	potassium salt	expectorant; radical scavenger
4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.	2.44	2	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert. 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.	2.02	1	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.	2	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primidone Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.. primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.	2.15	1	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.	2.36	2	0	diarylmethane
procaine Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).. procaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.	4.03	4	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine Procarbazine: An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease.. procarbazine : A benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.	7.68	3	0	benzamides; hydrazines	antineoplastic agent
procaterol Procaterol: A long-acting beta-2-adrenergic receptor agonist.	2.15	1	0	quinolines
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	2.77	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
prometryne Prometryne: A triazine used as a selective pre- and post-emergence herbicide. (From Merck Index, 11th ed). prometryn : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6.	2.6	1	0	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
propafenone Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.. propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.	2.48	2	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propantheline Propantheline: A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.	1.95	1	0	xanthenes
propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.	2.98	4	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.	2	1	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	3.38	7	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
propyl gallate Propyl Gallate: Antioxidant for foods, fats, oils, ethers, emulsions, waxes, and transformer oils.	2.77	3	0	trihydroxybenzoic acid
protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins.	3.34	6	0
pyrilamine Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.	1.99	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
pyrimethamine Maloprim: contains above 2 cpds	2.39	2	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.	2.48	2	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	2.04	1	0	alkylamine
rizatriptan rizatriptan: structure given in first source; RN given refers to benzoate	2.13	1	0	tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
rolipram [no description available]	7.46	2	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
roxarsone Roxarsone: An arsenic derivative which has anticoccidial action and promotes growth in animals.. roxarsone : An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl.	3.22	5	0	2-nitrophenols; organoarsonic acid	agrochemical; animal growth promotant; antibacterial drug; coccidiostat
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	2.13	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
safrole Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.	3.27	1	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
sevoflurane Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.	2.48	2	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
sibutramine sibutramine: serotonin and norepinephrine transporter inhibitor; Meridia is tradename for sibutramine hydrochloride	2.6	1	0	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor
sulfadiazine Sulfadiazine: One of the short-acting SULFONAMIDES used in combination with PYRIMETHAMINE to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections.. sulfadiazine : A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.. diazine : The parent structure of the diazines.	6.25	9	1	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
simazine Simazine: A triazine herbicide.. simazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.	2.13	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
sodium fluoride [no description available]	2.03	1	0	fluoride salt	mutagen
fluoroacetic acid fluoroacetic acid: N1 same as NM; RN given refers to parent cpd. fluoroacetic acid : A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.	1.96	1	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
sodium iodide Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion.	2.46	2	0	inorganic sodium salt; iodide salt
sotalol Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.	2.52	2	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.	3.28	6	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.15	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulconazole sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source. sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.. 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.	2.15	1	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
sulfacetamide Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections.. sulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.	2.1	1	0	N-sulfonylcarboxamide; substituted aniline	antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.	3.03	4	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
sulfamerazine [no description available]	2.53	2	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen
sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position.	3.45	6	0	pyrimidines; sulfonamide antibiotic; sulfonamide	antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic
sulfamethizole Sulfamethizole: A sulfathiazole antibacterial agent.. sulfamethizole : A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.	2.15	1	0	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	7.55	37	1	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfanilamide [no description available]	8.32	6	0	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfapyridine Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.	3.34	6	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.59	2	0
sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.	2.36	2	0	1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic
sulfisoxazole Sulfisoxazole: A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms.. sulfisoxazole : A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms.	2.63	2	0	isoxazoles; sulfonamide antibiotic; sulfonamide	antibacterial drug; drug allergen
sulfoxone sulfoxone: RN given refers to parent cpd	2.01	1	0	sulfonamide
sumatriptan Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.. sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.	2.46	2	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.	2.02	1	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	2.48	2	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
temazepam Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.	2.13	1	0	benzodiazepine
temozolomide [no description available]	2.98	3	0	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.	2.57	2	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)	2.05	1	0	quaternary ammonium ion
krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs.	5.45	12	0	monoatomic krypton; noble gas atom; p-block element atom
tetrahydrozoline tetrahydrozoline: used as nasal decongestant; Visine is a form of eye drops; RN given refers to parent cpd; structure	2.25	1	0	carboxamidine; imidazolines	nasal decongestant; sympathomimetic agent
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	2.66	3	0	phthalimides; piperidones
theobromine Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.	3.19	5	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
thiabendazole Tresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate	2.76	2	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
2,2'-thiodiethanol 2,2'-thiodiethanol: product of yperite hydrolysis; a hydrolysis product opf mustard gas; strongly stimulates differentiation of chick embryo myogenic cells. thiodiglycol : A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom	2.05	1	0	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent
thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.	2.05	1	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
thiotepa Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed).	1.94	1	0	aziridines
thiram Thiram: A dithiocarbamate chemical, used commercially in the rubber processing industry and as a fungicide. In vivo studies indicate that it inactivates the enzyme GLUTATHIONE REDUCTASE. It has mutagenic activity and may induce chromosomal aberrations.. thiram : An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.	2.6	1	0	organic disulfide	antibacterial drug; antifungal agrochemical; antiseptic drug
tinidazole Tinidazole: A nitroimidazole alkylating agent that is used as an antitrichomonal agent against TRICHOMONAS VAGINALIS; ENTAMOEBA HISTOLYTICA; and GIARDIA LAMBLIA infections. It also acts as an antibacterial agent for the treatment of BACTERIAL VAGINOSIS and anaerobic bacterial infections.. tinidazole : 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group. It is used as an antiprotozoal, antibacterial agent.	2.17	1	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tioconazole tioconazole : A racemate comprising equimolar amounts of (R)- and (S)-tioconazole.. 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.	2.15	1	0	dichlorobenzene; ether; imidazoles; thiophenes
tolbutamide Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.	2.21	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug.	2.03	1	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tolnaftate [no description available]	2.6	1	0	monothiocarbamic ester	antifungal drug
trazodone Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309). trazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.	2.05	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
bromoform bromoform: structure	3.24	6	0	bromohydrocarbon; bromomethanes
triclosan [no description available]	11.76	16	1	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trientine Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.	2.52	2	0	polyazaalkane; tetramine	copper chelator
trifluperidol Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)	1.95	1	0	aromatic ketone
trifluralin Trifluralin: A microtubule-disrupting pre-emergence herbicide.. trifluralin : A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide.	2.04	1	0	(trifluoromethyl)benzenes; C-nitro compound; substituted aniline	agrochemical; environmental contaminant; herbicide; xenobiotic
trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.	2.92	4	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimipramine Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties.. trimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.	2.17	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
tyramine [no description available]	2.76	3	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
tyrphostin a9 [no description available]	2.37	2	0	alkylbenzene	geroprotector
urethane [no description available]	8.92	13	0	carbamate ester	fungal metabolite; mutagen
2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2h-tetrazolium hydroxide 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide: structure given in first source	2.05	1	0
xylazine Xylazine: An adrenergic alpha-2 agonist used as a sedative, analgesic and centrally acting muscle relaxant in VETERINARY MEDICINE.. xylazine : A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an alpha2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties.	2.21	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.	2.76	3	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
zolpidem Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.	2.17	1	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.	5.64	5	1	mitomycin	alkylating agent; antineoplastic agent
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.	3.22	6	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.	2.87	4	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
lysergic acid diethylamide Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.. lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.	2.4	2	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
reserpine Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.	2.64	3	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
phentolamine Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.	2.35	2	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).	8.42	7	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
thymidine [no description available]	5.54	23	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
floxuridine Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.	2.38	2	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole.	8.41	7	0	benzimidazole; polycyclic heteroarene
2-aminophenol [no description available]	2.72	3	0	aminophenol	bacterial metabolite
bromouracil Bromouracil: 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.. 5-bromouracil : A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.	1.94	1	0	nucleobase analogue; pyrimidines	mutagen
hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.	1.96	1	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	3.28	6	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	3.06	5	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
spironolactone Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.	2.71	3	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
aldosterone [no description available]	2.35	2	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
penicillamine Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.	3.13	5	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
trichlorfon Trichlorfon: An organochlorophosphate cholinesterase inhibitor that is used as an insecticide for the control of flies and roaches. It is also used in anthelmintic compositions for animals. (From Merck, 11th ed). trichlorfon : A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.	2.1	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	2.93	4	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	4.7	9	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone [no description available]	2.07	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	1.95	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
1,2,5,6-dibenzanthracene 1,2,5,6-dibenzanthracene: RN given refers to parent cpd	2.6	1	0	ortho-fused polycyclic arene	mutagen
adrenochrome Adrenochrome: Pigment obtained by the oxidation of epinephrine.	2.31	1	0	indoles
penicillin g Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.	2.89	4	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
idoxuridine [no description available]	2.6	1	0	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
pilocarpine Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.	2.6	1	0	pilocarpine	antiglaucoma drug
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	7.11	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.	2.05	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
methyldimethylaminoazobenzene Methyldimethylaminoazobenzene: A very potent liver carcinogen.. 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen.	1.94	1	0
isoflurophate Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.	2.64	3	0	dialkyl phosphate
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	7.45	39	1	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	4.8	32	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	7.4	34	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
benz(a)anthracene benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings.	1.93	1	0	ortho-fused polycyclic arene; tetraphenes
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	9.45	21	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	4.39	21	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	3.65	9	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	7.59	41	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
allyl isothiocyanate allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.	7.57	2	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.	12.86	64	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.	3.23	6	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sulfamic acid sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure. sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.	2.42	2	0	sulfamic acids
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	9.9	99	3	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	3.82	10	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
chlordan Chlordan: A highly poisonous organochlorine insecticide. The EPA has cancelled registrations of pesticides containing this compound with the exception of its use through subsurface ground insertion for termite control and the dipping of roots or tops of non-food plants. (From Merck Index, 11th ed)	2.08	1	0	cyclodiene organochlorine insecticide	GABA-gated chloride channel antagonist; persistent organic pollutant
tubocurarine Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.. tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.. isoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.	1.94	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.	2.07	1	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	2.35	2	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
methyltestosterone Methyltestosterone: A synthetic hormone used for androgen replacement therapy and as an hormonal antineoplastic agent (ANTINEOPLASTIC AGENTS, HORMONAL).. methyltestosterone : A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.	4.43	5	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent
tetrabenazine 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.	1.95	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	3.68	10	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	5.6	69	0	tetrachlorophenol	xenobiotic metabolite
uridine [no description available]	3.74	11	0	uridines	drug metabolite; fundamental metabolite; human metabolite
uridine monophosphate Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. uridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.	1.95	1	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
uridine diphosphate Uridine Diphosphate: A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety.	3.01	2	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.	4.67	8	0	kanamycins	bacterial metabolite
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	3.23	6	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
galactose galactopyranose : The pyranose form of galactose.	6.76	18	1	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	7.08	13	1	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	2.07	1	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
benzoxazolone benzoxazolone: RN given refers to parent cpd; structure. 2-benzoxazolinone : A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2.	7.03	1	0	benzoxazole	allelochemical; phytoalexin
levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease	5.67	16	1	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	6.11	30	1	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
tributyrin tributyrin: structure. tributyrin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid.	2.46	2	0	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent
p-aminoazobenzene p-Aminoazobenzene: Used in the form of its salts as a dye and as an intermediate in manufacture of Acid Yellow, diazo dyes, and indulines.. 4-(phenylazo)aniline : Azobenzene substituted at one of the 4-positions by an amino group. It has a role as a dye and an allergen.	1.97	1	0
p-dimethylaminoazobenzene p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)	3.67	10	0	azobenzenes
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	3.22	5	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	6.28	149	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.	3.74	10	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
methoxamine Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION.. methoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine .	1.95	1	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.	3.69	10	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	5.73	76	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	4.14	16	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ethyl methanesulfonate Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.	3.93	13	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
aniline [no description available]	9.76	29	0	anilines; primary arylamine
calcium acetate calcium acetate: a principal compound used as phosphate binders in patients with chronic renal failure; used like sevelamer. calcium acetate : The calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces.	2.87	4	0	calcium salt	chelator
dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.	3.27	6	0	nitrosamine	geroprotector; mutagen
androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.	3.04	1	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
carbaryl Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.	3.28	6	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
cytidine monophosphate Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. cytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.	1.95	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.	11.44	30	5	lactose
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	12.48	44	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	4.21	16	0
phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.	9.64	27	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	2.37	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
cytidine [no description available]	3.47	2	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine triphosphate Cytidine Triphosphate: Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety.	1.95	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
n-hexanal [no description available]	2.52	2	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human urinary metabolite
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	2.38	2	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
ficusin Ficusin: A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking.. psoralen : The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia.	2.15	1	0	psoralens	plant metabolite
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	2.41	2	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
3,5-dimethylpyrazole 3,5-dimethylpyrazole: RN given refers to parent cpd	2.15	1	0
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	7.13	68	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethyl sulfone [no description available]	2.52	2	0	sulfone
hexachloroethane [no description available]	2.25	1	0	chlorocarbon; chloroethanes	carcinogenic agent; refrigerant
gliotoxin Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi.	2.1	1	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
sodium citrate, anhydrous Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.. sodium citrate : The trisodium salt of citric acid.	3.07	4	0	organic sodium salt	anticoagulant; flavouring agent
bromoacetate [no description available]	2.43	2	0	carboxylic acid; organohalogen compound
bromoacetate [no description available]	1.96	1	0
dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.	4.41	20	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.	2.37	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
triaziquone Triaziquone: Alkylating antineoplastic agent used mainly for ovarian tumors. It is toxic to skin, gastrointestinal tract, bone marrow and kidneys.. triaziquone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.	1.94	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.	1.94	1	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	3.47	7	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol [no description available]	4.59	8	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine [no description available]	1.99	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
dithionitrobenzoic acid Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.. dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.	2.65	3	0	nitrobenzoic acid; organic disulfide	indicator
trifluridine Trifluridine: An antiviral derivative of THYMIDINE used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to HERPES SIMPLEX virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557). trifluridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis.	5.09	1	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor
phenacyl bromide phenacyl bromide: structure. phenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.	2.05	1	0	acetophenones; alpha-bromoketone	metabolite
ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.	2.69	3	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
dinitrofluorobenzene Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.. 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions.	2.4	2	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	3.41	7	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	13.09	43	1	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
n-pentanol n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.	2.57	2	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1.	2.93	4	0	chloroethanes	polar solvent
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	4.13	16	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.	4.85	11	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
alizarin [no description available]	2.53	2	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
dichlorodiphenyldichloroethane Dichlorodiphenyldichloroethane: An organochlorine insecticide that is slightly irritating to the skin. (From Merck Index, 11th ed, p482)	2.67	3	0	chlorophenylethane; monochlorobenzenes; organochlorine insecticide	xenobiotic metabolite
methandrostenolone Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188)	2.31	1	0	organic molecular entity
chlorquinaldol Chlorquinaldol: Local anti-infective agent used for skin, gastrointestinal, and vaginal infections with fungi, protozoa, and certain bacteria. In animals, it causes central nervous system damage and is not administered parenterally. It is also used as antiseptic, fungistat, or deodorant.. chlorquinaldol : A monohydroxyquinoline that is quinolin-8-ol which is substituted by a methyl group at position 2 and by chlorine at positions 5 and 7. An antifungal and antibacterial, it was formerly used for topical treatment of skin conditions and vaginal infections.	5.09	1	1	monohydroxyquinoline; organochlorine compound	antibacterial drug; antiprotozoal drug; antiseptic drug
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	11.87	50	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.	3.24	6	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
4-chlorobenzoic acid 4-chlorobenzoic acid: RN given refers to parent cpd. 4-chlorobenzoic acid : A monochlorobenzoic acid carrying a chloro substituent at position 4.	2.48	2	0	monochlorobenzoic acid	bacterial xenobiotic metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	4.67	28	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
methyl bromide methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae.	8.9	13	0	bromohydrocarbon; bromomethanes; methyl halides	algal metabolite; fumigant insecticide; marine metabolite
ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms.	8.69	177	0	alkane; gas molecular entity	plant metabolite; refrigerant
ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges	10.02	99	1	alkene; gas molecular entity	plant hormone; refrigerant
acetylene [no description available]	8.51	108	0	alkyne; gas molecular entity; terminal acetylenic compound
methyl chloride Methyl Chloride: A hydrocarbon used as an industrial solvent. It has been used as an aerosal propellent, as a refrigerant and as a local anesthetic. (From Martindale, The Extra Pharmacopoeia, 31st ed, p1403). chlorocarbon : Compounds consisting wholly of chlorine and carbon.. chloromethane : A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group.	10.45	21	0	chloromethanes; methyl halides	marine metabolite; mutagen; refrigerant
methyl iodide methyl iodide: RN given refers to unlabeled cpd with MF of CH3-I. iodomethane : A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine.	3.52	8	0	iodomethanes; methyl halides	fumigant insecticide
methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom.	6.25	27	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron.	6.04	34	0	boranes; mononuclear parent hydride
bromoethane bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses.	3.23	1	0	bromoalkane; bromohydrocarbon; volatile organic compound	alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent
bromochloromethane bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom.	5.47	8	2	halomethane
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	6.84	82	0	alkane; gas molecular entity	food propellant
methylacetylene methylacetylene: structure	4.55	4	0	alkyne; gas molecular entity; terminal acetylenic compound
ethyl chloride Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead.	2.87	4	0	chloroethanes	antipruritic drug; inhalation anaesthetic; local anaesthetic
vinyl chloride Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group.	4.55	24	0	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
ethylamine ethylamine : A two-carbon primary aliphatic amine.	1.96	1	0	primary aliphatic amine	human metabolite
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	4.91	34	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
ethanethiol ethanethiol: RN given refers to parent cpd; structure. ethanethiol : An alkanethiol that is ethane substituted by a thiol group at position 1. It is added to odorless gaseous products such as liquefied petroleum gas (LPG) to provide a garlic scent which helps warn of gas leaks.	2.38	2	0	alkanethiol	rodenticide
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	5.67	25	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
difluoromethane difluoromethane: structure given in first source	2.71	3	0	fluoromethanes	refrigerant
isocyanic acid isocyanic acid: structure. isocyanic acid : A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.	2.05	1	0	hydracid; one-carbon compound
carbon disulfide Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.	3.23	6	0	one-carbon compound; organosulfur compound
formaldoxime formaldoxime: structure in first source. nitrone : A nitrogen ylide obtained by oxygenation of any imine.	2.06	1	0
cyclopropane cyclopropane : A cycloalkane composed of three carbon atoms to form a ring.	6.21	25	0	cycloalkane; cyclopropanes	inhalation anaesthetic
ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.	5.42	10	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
boron trifluoride [no description available]	2.49	2	0	boron fluoride	NMR chemical shift reference compound
bromodichloromethane bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water.	2.39	2	0	halomethane	environmental contaminant; reagent
2-propylamine 2-propylamine: RN given refers to parent cpd	1.96	1	0	alkylamines; primary aliphatic amine
1,1-dichloroethane [no description available]	1.96	1	0	organochlorine compound
vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines.	2.39	2	0	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
1,1-difluoroethane [no description available]	2.39	2	0
1,1-difluoroethylene 1,1-difluoroethylene: structure	1.96	1	0	olefinic compound; organofluorine compound
dichlorofluoromethane [no description available]	1.96	1	0
phosgene Phosgene: A highly toxic gas that has been used as a chemical warfare agent. It is an insidious poison as it is not irritating immediately, even when fatal concentrations are inhaled. (From The Merck Index, 11th ed, p7304). phosgene : An acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine.. chloroketone : A ketone containing a chloro substituent.	2.46	2	0	acyl chloride
fluorocarbon 22 [no description available]	2.66	3	0	hydrochlorofluorocarbon
fluoroform fluoroform: structure	2.97	4	0	fluoromethanes	refrigerant
iodoform [no description available]	2.4	2	0	iodomethanes
nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.	8.58	199	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
propyleneimine [no description available]	2.06	1	0	aziridines
propylene oxide propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2.	2.73	3	0	epoxide
tetramethylammonium tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.	3.46	7	0	quaternary ammonium ion
bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride.	1.96	1	0
bromotrifluoromethane [no description available]	1.93	1	0
tert-butyl alcohol tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2.	3.3	6	0	tertiary alcohol	human xenobiotic metabolite
trichlorofluoromethane trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom.	2.69	3	0	chlorofluorocarbon; halomethane	environmental contaminant; NMR chemical shift reference compound; NMR solvent; refrigerant
dichlorodifluoromethane dichlorodifluoromethane: refrigerant,aerosol propellant	7.72	3	0
tetrafluoromethane tetrafluoromethane: structure in first source	3.43	7	0	fluorocarbon; fluoromethanes	refrigerant
methanesulfonic acid [no description available]	3.81	12	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
1,1,1-trifluoro-2-chloroethane 1,1,1-trifluoro-2-chloroethane: volatile metabolite of halothane	1.99	1	0	organofluorine compound
trifluoroethanol Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.	2.39	2	0	fluoroalcohol
tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.	2.68	3	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
hydroxymethanesulfonate, sodium salt formaldehyde bisulfite: RN given refers to parent cpd	2.17	1	0	organosulfonic acid
pivalic acid pivalic acid: RN given refers to parent cpd; structure. pivalic acid : A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.	2.9	4	0	branched-chain saturated fatty acid; methyl-branched fatty acid; short-chain fatty acid
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	3.96	13	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.	2.49	2	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
chloropicrin chloropicrin: major descriptor (66-85); on-line search HYDROCARBONS, CHLORINATED (66-85); Index Medicus search CHLOROPICRIN (66-85). chloropicrin : A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union.	8.3	6	0	C-nitro compound; one-carbon compound; organochlorine compound	antifungal agrochemical; fumigant insecticide; nematicide
pinacol pinacol : A glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.	2.41	1	0	glycol
freon 114 Freon 114: InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N	1.96	1	0
perfluoroethane [no description available]	1.96	1	0	fluoroalkane; fluorocarbon	refrigerant
fluoxymesterone Fluoxymesterone: An anabolic steroid that has been used in the treatment of male HYPOGONADISM, delayed puberty in males, and in the treatment of breast neoplasms in women.	1.95	1	0	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	6.84	49	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
dimethyl sulfate dimethyl sulfate: RN given refers to unlabeled cpd; structure. dimethyl sulfate : The dimethyl ester of sulfuric acid.	2.89	4	0	alkyl sulfate	alkylating agent; immunosuppressive agent
tromethamine Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)	3.35	7	0	primary amino compound; triol	buffer
3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.	2.13	1	0	mercaptopropanoic acid	algal metabolite
tetraethoxysilane [no description available]	3.2	5	0
pentaerythritol tetranitrate Pentaerythritol Tetranitrate: A vasodilator with general properties similar to NITROGLYCERIN but with a more prolonged duration of action. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1025). pentaerythritol tetranitrate : A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex.	2.38	2	0	pentaerythritol nitrate	explosive; vasodilator agent
azobis(isobutyronitrile) azobis(isobutyronitrile): blowing agent for elastomers & plastics; initiator for free radical reactions; structure	2.41	2	0
isopentane [no description available]	3.33	6	0	alkane	refrigerant
isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.	7.38	78	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd	2.72	3	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
isobutyraldehyde isobutyraldehyde : A member of the class of propanals that is propanal substituted by a methyl group at position 2.	2.17	1	0	2-methyl-branched fatty aldehyde; propanals	Saccharomyces cerevisiae metabolite
methylethyl ketone methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2.	2.91	4	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
chloroacetone [no description available]	2.06	1	0	alpha-chloroketone
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	7.15	68	0	chloroethenes	inhalation anaesthetic; mouse metabolite
acrylamide [no description available]	8.37	6	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
chloroacetamide [no description available]	1.99	1	0
acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.	5.98	32	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-methylacetamide N-methylacetamide: RN given refers to parent cpd. N-methylacetamide : A monocarboxylic acid amide that is the N-methyl derivative of acetamide.	1.96	1	0	acetamides; monocarboxylic acid amide	metabolite
methyl acetate methyl acetate : An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils.	2.7	3	0	acetate ester; methyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent
peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant.	2.91	3	0	a peroxy acid	disinfectant; oxidising agent
nitroethane nitroethane : A nitroalkane that is ethane substituted by a nitro group.	5.2	15	0	primary nitroalkane
1,1,2,2-tetrachloroethane 1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2.	2.46	2	0	chloroethanes
tetrabromobisphenol a tetrabromobisphenol A: a brominated flame retardant. 3,3',5,5'-tetrabromobisphenol A : A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.	3.55	7	0	brominated flame retardant; bromobisphenol
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	5.56	61	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
bis(4-hydroxyphenyl)sulfone bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.	2.13	1	0	bisphenol; sulfone	endocrine disruptor; metabolite
cumene hydroperoxide cumene hydroperoxide: RN given refers to parent cpd. cumene hydroperoxide : A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group.	2.41	2	0	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
alpha-pinene [no description available]	2.44	2	0	pinene	plant metabolite
methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.	2.71	3	0	enoate ester; methyl ester	allergen; polymerisation monomer
rhodamine b rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.	4.72	26	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
quintozene quintozene: active ingredient of variety of fungicides. pentachloronitrobenzene : A C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union.	2.44	2	0	aromatic fungicide; C-nitro compound; pentachlorobenzenes	antifungal agrochemical
skatole [no description available]	7.92	4	0	methylindole	human metabolite; mammalian metabolite
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	3.08	5	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
lawsone lawsone: a molluscacide from leaves of Lawsonia inermis L. topical sunscreening agent; structure; powdered leaves of Lawsonia inermis(Lythraceae) used as brown hair dye. lawsone : 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis.	2.83	3	0
rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.	2.94	4	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
9,10-phenanthrenequinone 9,10-phenanthrenequinone: structure	2.76	3	0	phenanthrenes
9,10-anthraquinone 9,10-anthraquinone : An anthraquinone that is anthracene in which positions 9 and 10 have been oxidised to carbonyls.	8.13	5	0	anthraquinone
diethyl phthalate diethyl phthalate: structure. diethyl phthalate : The diethyl ester of benzene-1,2-dicarboxylic acid.	2.46	2	0	diester; ethyl ester; phthalate ester	neurotoxin; plasticiser; teratogenic agent
diquat Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.	2.21	1	0	organic cation	defoliant; herbicide
pyocyanine Pyocyanine: Antibiotic pigment produced by Pseudomonas aeruginosa.. pyocyanine : An iminium betaine that is 5-methylphenazin-5-ium which is substituted at position 1 by an oxidanidyl group. An antibiotic pigment produced by Pseudomonas aeruginosa.	2.05	1	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
1-(2-pyridylazo)-2-naphthol [no description available]	2.05	1	0
1-naphthoic acid naphthoic acid : An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups.	2.07	1	0	naphthoic acid	bacterial xenobiotic metabolite; fungal xenobiotic metabolite
fluorene [no description available]	3.66	9	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
carbazole carbazole: structure in first source	3.16	5	0	carbazole
1-naphthaleneacetic acid 1-naphthaleneacetic acid: a plant growth regulator; RN given refers to parent cpd. naphthylacetic acid : A monocarboxylic acid that is naphthalene substituted by a carboxymethyl group at any position.. 1-naphthaleneacetic acid : A naphthylacetic acid substituted by a carboxymethyl group at position 1.	2.53	2	0	naphthylacetic acid	synthetic auxin
penicillin v Penicillin V: A broad-spectrum penicillin antibiotic used orally in the treatment of mild to moderate infections by susceptible gram-positive organisms.. phenoxymethylpenicillin : A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.	2.38	2	0	penicillin allergen; penicillin
salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.	2.06	1	0	benzanilide fungicide; salicylamides; salicylanilides
phthalide 2-benzofuran-1(3H)-one : A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.. isobenzofuranone : A 2-benzofuran containing one or more oxo groups.	2.51	2	0	2-benzofurans; gamma-lactone
gramine gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.	2.47	2	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
1,2,3-trichlorobenzene trichlorobenzene: commercial grade of trichlorobenzene containing 70% 1,2,4-trichlorobenzene & 30% 1,2,3-trichlorobenzene; see also record for 1,2,4-trichlorobenzene. trichlorobenzene : Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.. 1,2,3-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 2 and 3.	2.07	1	0	trichlorobenzene
2,6-dichlorophenol 2,6-dichlorophenol: RN given refers to unlabeled cpd. 2,6-dichlorophenol : A dichlorophenol with the chloro substituents at positions 2 and 6.	2.05	1	0	dichlorophenol
xylitol xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues.	4.65	7	0
2,4,6-trichlorophenol [no description available]	3.57	8	0	trichlorophenol	carcinogenic agent
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	4.64	24	0	pyrrolidin-2-ones
1-chloro-2-nitrobenzene [no description available]	2.11	1	0	C-nitro compound; monochlorobenzenes
2-nitrophenol nitrophenol : Any member of the class of phenols or substituted phenols carrying at least 1 nitro group.	2.13	1	0	2-nitrophenols
picric acid picric acid: used as antiseptic, astringent & stimulant for epitheliazation; structure. picric acid : A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions.	2.78	3	0	C-nitro compound	antiseptic drug; explosive; fixative
piperitone piperitone: from Mentha longifolia var. chorodictya Rech F; structure in first source. piperitone : A p-menthane monoterpenoid that is cyclohex-2-en-1-one substituted by a methyl group at position 3 and an isopropyl group at position 6.	2.11	1	0	cyclic terpene ketone; p-menthane monoterpenoid	plant metabolite; volatile oil component
thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.	2.55	2	0	monoterpenoid; phenols	volatile oil component
salicylaldehyde o-hydroxybenzaldehyde: structure in first source	2.52	2	0	hydroxybenzaldehyde	nematicide; plant metabolite
1-methylnaphthalene 1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1.	2.39	2	0	methylnaphthalene	carcinogenic agent; plant metabolite
1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.	3.45	7	0	naphthol	genotoxin; human xenobiotic metabolite
2-phenylphenol 2-phenylphenol: RN given refers to parent cpd; structure. biphenyl-2-ol : A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.	2.46	2	0	hydroxybiphenyls	antifungal agrochemical; environmental food contaminant
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.	2.08	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
beta-glucono-1,5-lactone beta-glucono-1,5-lactone: structure. D-glucono-1,5-lactone : An aldono-1,5-lactone obtained from D-gluconic acid.	3.02	4	0	aldono-1,5-lactone; gluconolactone	animal metabolite; mouse metabolite
veratrole veratrole: structure. dimethoxybenzene : Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.. veratrole : A dimethoxybenzene with the methoxy groups at ortho-positions.	6.93	1	0	dimethoxybenzene	plant metabolite
decalin decalin: RN given refers to cpd without isomeric designation; don't confuse with decaline which has a nitrogen at the juncture of the two rings;. trans-decalin : The trans-stereoisomer of decalin.. decalin : An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene.	2.07	1	0	ortho-fused bicyclic hydrocarbon	solvent
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	11.47	12	1	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
quinoline [no description available]	3.96	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;	9.12	14	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
2-methylnaphthalene 2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2.	2.07	1	0	methylnaphthalene
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	8.11	5	0	naphthylamine	carcinogenic agent
3,3'-diaminobenzidine 3,3'-Diaminobenzidine: A chemically and thermodynamically stable derivative of BENZIDINE.. 3,3'-diaminobenzidine : A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group.	2.06	1	0	biphenyls; substituted aniline	histological dye
tolonium chloride Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.. tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques.	3.43	7	0
diphenyl diphenyl: RN given refers to unlabeled cpd; structure	4.45	23	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
proflavine Proflavine: Topical antiseptic used mainly in wound dressings.. 3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.	2.1	1	0	aminoacridines	antibacterial agent; antiseptic drug; carcinogenic agent; chromophore; intercalator
4-bromobiphenyl [no description available]	2.1	1	0
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	3.81	11	0	xanthene
phenothiazine 10H-phenothiazine : The 10H-tautomer of phenothiazine.	2.07	1	0	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
benzidine benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.	2.48	2	0	biphenyls; substituted aniline	carcinogenic agent
2-naphthoic acid 2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2.	2.45	2	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
mecoprop mecoprop: RN given refers to cpd without isomeric designation; structure. 2-(4-chloro-2-methylphenoxy)propanoic acid : A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group.. mecoprop : A racemate comprising equimolar amounts of (R)- and (S)-mecoprop.	2.48	2	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
benzoylacetone [no description available]	2.44	2	0
propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)	3.58	8	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
butylparaben [no description available]	2.11	1	0	organic molecular entity
benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.	2.51	2	0	carbonyl compound
2-methyl-4-chlorophenoxyacetic acid 2-Methyl-4-chlorophenoxyacetic Acid: A powerful herbicide used as a selective weed killer.. (4-chloro-2-methylphenoxy)acetic acid : A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.	3	4	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
indene indene: structure in first source. 1H-indene : An ortho-fused bicyclic arene comprising of benzene and cyclopentene rings.	2.48	2	0	indene; ortho-fused bicyclic arene
benzothiophene [no description available]	2.54	2	0	1-benzothiophenes; benzothiophene
benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.	2.02	1	0	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
2-methylindole 2-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure. 2-methyl-1H-indole : A methylindole that is 1H-indole substituted by a methyl group at position 2.	2.1	1	0	methylindole
2-xylene 2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2.	2.94	4	0	xylene
2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2.	3.59	8	0	dichlorobenzene	hepatotoxic agent; metabolite
2-toluidine 2-toluidine: RN given refers to parent cpd. o-toluidine : An aminotoluene in which the amino substituent is ortho to the methyl group.	2.63	2	0	aminotoluene	carcinogenic agent
1,2-diaminobenzene 1,2-diaminobenzene: RN given refers to parent cpd. 1,2-phenylenediamine : A phenylenediamine in which the two amino groups are ortho to each other.	3.35	6	0	phenylenediamine	hydrogen donor
2-bromophenol bromophenol : A halophenol that is any phenol containing one or more covalently bonded bromine atoms.	1.98	1	0	bromophenol	marine metabolite
2-chlorophenol chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms.	3.42	7	0	2-halophenol; monochlorophenol
pseudocumene 1,2,4-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 4.	2	1	0	trimethylbenzene	neurotoxin
3,4-dichloroaniline 3,4-dichloroaniline : A dichloroaniline having the two chloro-substituents at the 3- and 4-positions.	2.11	1	0	dichloroaniline	epitope; xenobiotic
durene durene: structure. durene : A tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5.	2.41	1	0	tetramethylbenzene
2,4,5-trichlorophenol 2,4,5-trichlorophenol: RN given refers to parent cpd; structure. 2,4,5-trichlorophenol : A trichlorophenol carrying chloro groups at positions 2, 4 and 5.	2.04	1	0	trichlorophenol
dilactide dilactide: structure given in first source	3.18	5	0	dioxanes
styrene oxide styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group.	2.05	1	0	epoxide	human xenobiotic metabolite
3-methylpentane 3-methylpentane : An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black.	3.18	5	0	alkane; volatile organic compound	allelochemical; human metabolite; non-polar solvent
1,2,3-trichloropropane [no description available]	7.02	1	0	organochlorine compound
methyl acrylate [no description available]	4.14	3	1	enoate ester
methylcyclopentane methylcyclopentane: toxic; RN 96-37-7. methylcyclopentane : A cycloalkane that is cyclopentane substituted by a single methyl group.	2.43	2	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
cyclopentanol [no description available]	2.03	1	0	cyclopentanols
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	3.78	10	0	butan-4-olide	metabolite; neurotoxin
sulfosalicylic acid 5-sulfosalicylic acid : An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.	2.63	2	0	arenesulfonic acid; benzoic acids; phenols	metabolite
butyl methacrylate [no description available]	2.48	2	0	enoate ester
ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.	3.33	6	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
triethylborane triethylborane: used in the radical deuteration reaction of ribonucleoside derivatives	2.48	2	0
furfuryl alcohol furfuryl alcohol: structure. furfuryl alcohol : A furan bearing a hydroxymethyl substituent at the 2-position.	2.97	4	0	furans; primary alcohol	Maillard reaction product
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	8.86	11	0	aldehyde; furans	Maillard reaction product; metabolite
benzenearsonic acid benzenearsonic acid: RN given refers to parent cpd; structure	1.93	1	0	arsonic acids; organoarsonic acid
benzenesulfonamide [no description available]	1.96	1	0	sulfonamide
3-trifluoromethylphenol 3-trifluoromethylphenol: structure in first source	2	1	0	(trifluoromethyl)benzenes
p-tert-butyl catechol [no description available]	2.05	1	0
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	3.35	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
methylphenyl carbinol 1-phenylethanol : An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.. methylbenzyl alcohol : Members of the class of benzyl alcohols substituted by at least one methyl group.	2.15	1	0	aromatic alcohol	mouse metabolite
acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.	2.74	3	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
cyclohexanecarboxylic acid cyclohexanecarboxylic acid: RN given refers to parent cpd. cyclohexanecarboxylic acid : A monocarboxylic acid that consists of cyclohexane substituted by a carboxy group.	2.49	2	0	monocarboxylic acid
nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.	4.27	18	0	nitroarene; nitrobenzenes
3-toluic acid 3-toluic acid: RN given refers to parent cpd; structure	2.42	2	0	methylbenzoic acid	human xenobiotic metabolite
3-aminobenzoic acid 3-aminobenzoic acid: RN given refers to parent cpd. 3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3.	2.1	1	0	aminobenzoic acid
3-nitrotoluene [no description available]	1.96	1	0	mononitrotoluene
3-nitroaniline 3-nitroaniline: used as a sole source of nitrogen , carbon and energy	2.11	1	0
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	3.17	5	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sym-trinitrobenzene Trinitrobenzenes: Benzene derivatives which are substituted with three nitro groups in any position.. 1,3,5-trinitrobenzene : A trinitrobenzene in which each of the nitro groups is meta- to the other two.	1.93	1	0	trinitrobenzene	explosive
carvone carvone: an oxidized derivative of limonene; RN given refers to cpd without isomeric designation; L-carvone has spearmint flavor, D-carvone has dill/caraway flavor. carvone : A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively.	4.57	1	1	botanical anti-fungal agent; carvones	allergen
3-dinitrobenzene dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups.	2.4	2	0	dinitrobenzene	neurotoxin
methylparaben methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.	2.13	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
4-cymene 4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4.	2.8	3	0	monoterpene; toluenes	human urinary metabolite; plant metabolite; volatile oil component
4-toluic acid 4-toluic acid: RN given refers to parent cpd; structure. p-toluic acid : A methylbenzoic acid in which the methyl substituent is located at position 4.	2.07	1	0	methylbenzoic acid
4-nitrotoluene 4-nitrotoluene: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6470. mononitrotoluene : A nitrotoluene bearing a single nitro substituent at any position. A "closed class".. 4-nitrotoluene : A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.	2.03	1	0	mononitrotoluene
4-chloronitrobenzene [no description available]	2.77	3	0	C-nitro compound
terephthalic acid terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid. terephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.	4.3	17	0	benzenedicarboxylic acid
ethylbenzene [no description available]	5.79	26	0	alkylbenzene
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	4.38	19	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
4-vinylpyridine 4-vinylpyridine: reagent for blocking cysteine function in proteins; RN given refers to parent cpd	2.07	1	0
benzyl chloride benzyl chloride: RN given refers to unlabeled cpd. chlorophenylmethane : A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position.. benzyl chloride : A member of the class of benzyl chlorides that is toluene substituted on the alpha-carbon with chlorine.	7.77	3	0	benzyl chlorides
benzylamine aminotoluene : Any member of the class of toluenes carrying one or more amino groups.	2.06	1	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
benzonitrile benzonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.	2.21	1	0	benzenes; nitrile
methylaniline methylaniline: RN given refers to parent cpd. methylaniline : A substituted aniline carrying one or more methyl groups at unspecified positions.	2.41	1	0	methylaniline; phenylalkylamine; secondary amine
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.	7.41	2	0	monomethoxybenzene	plant metabolite
methylphenylsulfide thioanisole : An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.	2.41	2	0	aryl sulfide; benzenes
2-vinylpyridine [no description available]	2.08	1	0
triclocarban triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.	2.57	2	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
barban barban: selective herbicide for wild oats; structure. barban : A carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community.	2.41	1	0	acetylenic compound; carbamate ester; monochlorobenzenes	herbicide
fenuron fenuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of weeds in beetroot as well as various vegetable and ornamental crops.	2.21	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; xenobiotic
4,4'-diphenylmethane diisocyanate 4,4'-diphenylmethane diisocyanate: used as a hardening agent incorporated in polyurethanes. diphenylmethane-4,4'-diisocyanate : A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions.	1.95	1	0	diisocyanate	allergen; hapten
diphenylmethane diphenylmethane : A diarylmethane that is methane substituted by two phenyl groups.	3.44	8	0	diarylmethane
phenyl ether diphenyl ether : An aromatic ether in which the oxygen is attached to two phenyl substituents. It has been found in muscat grapes and vanilla.	7.91	4	0	aromatic ether	plant metabolite
tripropylamine tripropylammonium: RN given refers to parent cpd. tripropylamine : A tertiary amine that is ammonia in which each hydrogen atom is substituted by a propyl group.	2.46	2	0	tertiary amine
triethanolamine triethanolamine: RN given refers to parent cpd. triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group.	2.25	1	0	amino alcohol; tertiary amino compound; triol	buffer; surfactant
boric acid [no description available]	8	4	0	boric acids	astringent
phenylisothiocyanate phenylisothiocyanate: structure. phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.	1.97	1	0	isothiocyanate	allergen; reagent
n-benzyl-n,n-dimethylamine [no description available]	2.05	1	0
3-phenylpropanal 3-phenylpropanal : A benzene which is substituted by a 3-oxopropyl group at position 1.	2.06	1	0	aldehyde; benzenes	flavouring agent; plant metabolite
diethyl malonate diethyl malonate: isomer of diethylmalonic acid; one of most used compounds in drug synthesis, don't confuse with ethylmalonic acid	2.08	1	0	dicarboxylic acid
ethyl butyrate ethyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid.	2.55	2	0	butyrate ester	plant metabolite
caprolactam Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.	6.53	13	1	caprolactams	human blood serum metabolite
4-bromophenol 4-bromophenol : A bromophenol containing only hydroxy and bromo substituents that are para to one another.	2.1	1	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4.	2.76	3	0	xylene
4-chloroaniline 4-chloroaniline: RN given refers to parent cpd; structure. 4-chloroaniline : A chloroaniline in which the chloro atom is para to the aniline amino group.	2.45	2	0	chloroaniline; monochlorobenzenes
4-phenylenediamine 4-phenylenediamine: agent hair dye responsible for contact dermatitis; RN given refers to parent cpd. 1,4-phenylenediamine : A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus.	2.48	2	0	phenylenediamine	allergen; dye; hapten; reagent
1,2-epoxybutane 1,2-epoxybutane: RN given refers to cpd with unspecified isomeric designation	2	1	0	epoxide
epichlorohydrin Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.	2.17	1	0	epoxide; organochlorine compound
glycidyl methacrylate glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol.	2.17	1	0	enoate ester; epoxide
ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.	2.39	2	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
1-bromopropane 1-bromopropane: used as a solvent. 1-bromopropane : A bromoalkane that is propane carrying a bromo substituent at position 1.	2	1	0	bromoalkane; bromohydrocarbon	neurotoxin; solvent
allyl bromide [no description available]	2.13	1	0
butane butane : A straight chain alkane composed of 4 carbon atoms.	4.62	26	0	alkane; gas molecular entity	food propellant; refrigerant
1-butene but-1-ene : A butene with unsaturation at position 1.	1.96	1	0	butene
1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3.	8.48	7	0	butadiene	carcinogenic agent; mutagen
acrolein [no description available]	6.9	11	2	enal	herbicide; human xenobiotic metabolite; toxin
propanethiol propanethiol: RN given refers to parent cpd. propane-1-thiol : An alkanethiol that is propane substituted by a thiol group at position 1.	1.96	1	0	alkanethiol	plant metabolite
propylamine propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1.	1.96	1	0	alkylamines
acrylonitrile [no description available]	8.29	6	0	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.	3.05	4	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
propargyl alcohol propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1.	4.24	5	0	propynol; terminal acetylenic compound; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite
glyoxal [no description available]	2.06	1	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
methyl formate methyl formate: RN given refers to parent cpd. methyl formate : A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops.	2.44	2	0	formate ester; methyl ester; volatile organic compound	fumigant; insecticide; polar aprotic solvent; refrigerant
isethionic acid Isethionic Acid: A colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid.. isethionic acid : An alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group.	2.02	1	0	alkanesulfonic acid	human metabolite
sarin Sarin: An organophosphorus ester compound that produces potent and irreversible inhibition of cholinesterase. It is toxic to the nervous system and is a chemical warfare agent.. isopropyl methylphosphonofluoridate : A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid.. sarin : A racemate composed of equal amounts of (R)- and (S)-sarin. A potent and irreversible inhibitor of acetylcholinesterase that is toxic to the nervous system and is employed as a chemical warfare agent.	3.41	1	0	fluorine molecular entity; phosphinic ester
dimethyldioctadecylammonium dimethyldioctadecylammonium: a cationic lipid analog; RN given refers to parent cpd	2.17	1	0
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	4.54	23	0	alkane
isoamylamine isoamylamine: RN given refers to parent cpd. isopentylamine : A primary aliphatic amine that is butan-1-amine carrying a methyl substituent at position 3.	2.01	1	0	primary aliphatic amine	bacterial metabolite; plant metabolite
3-hydroxybutanal [no description available]	3.31	6	0
propylene glycol methyl ether propylene glycol methyl ether: RN given refers to unspecified methoxypropanol; structure	2.07	1	0
deanol Deanol: An antidepressive agent that has also been used in the treatment of movement disorders. The mechanism of action is not well understood.. N,N-dimethylethanolamine : A tertiary amine that is ethanolamine having two N-methyl substituents.	2.07	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
1-nitropropane 1-nitropropane : A nitroalkane that is propane substituted at C-1 by a nitro group.	3.58	2	0	primary nitroalkane
vinyl acetate [no description available]	3.04	4	0	acetate ester
methyl isobutyl ketone [no description available]	2.15	1	0	ketone
diisopropylamine diisopropylamine: structure given in first source	2.11	1	0
gamma-valerolactone gamma-valerolactone: metabolite of n-hexane; RN given refers to cpd with methyl moiety in position 5. gamma-valerolactone : A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane.	2.41	1	0	butan-4-olide	flavouring agent; human xenobiotic metabolite
succinic anhydride [no description available]	2.08	1	0	cyclic dicarboxylic anhydride; tetrahydrofurandione
maleic anhydride Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid.	2.94	4	0	cyclic dicarboxylic anhydride; furans	allergen
3-xylene m-xylene : A xylene carrying methyl groups at positions 1 and 3.	2.53	2	0	xylene
3-chloroaniline 3-chloroaniline: RN given refers to parent cpd	1.96	1	0
3-chlorophenol 3-chlorophenol : A monochlorophenol carrying the chloro substituent at position 3.	2.05	1	0	monochlorophenol
3-phenylenediamine 1,3-phenylenediamine : A phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.	2.21	1	0	phenylenediamine
methyl malonate methyl malonate: do not confuse with methylmalonate, i.e., malonic acid substituted with a methyl group on C2; structure	2.03	1	0
cyanuric chloride cyanuric chloride : A chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides.	2.48	2	0	chloro-1,3,5-triazine; organochlorine compound	cross-linking reagent
melamine melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton.	4.22	15	0	triamino-1,3,5-triazine	xenobiotic metabolite
cyanuric acid cyanuric acid: RN given refers to parent cpd. isocyanuric acid : The keto tautomer of cyanuric acid.. cyanuric acid : The enol tautomer of isocyanuric acid.	2.1	1	0	1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound	xenobiotic
bromobenzene [no description available]	2.42	2	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
chlorobenzene [no description available]	3.65	9	0	monochlorobenzenes	solvent
cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.	2.01	1	0	cyclohexanols; secondary alcohol	solvent
cyclohexanone [no description available]	2.48	2	0	cyclohexanones	human xenobiotic metabolite
thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group.	2.93	4	0	aryl thiol
triethylene glycol dimethacrylate [no description available]	2.44	2	0
n-pentanoic acid n-pentanoic acid: RN given refers to unlabeled parent cpd. valeric acid : A straight-chain saturated fatty acid containing five carbon atoms.	2.91	3	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms.	5.45	59	0	alkane; volatile organic compound	non-polar solvent; refrigerant
dicyanmethane malononitrile : A dinitrile that is methane substituted by two cyano groups.	3.14	5	0	aliphatic nitrile; dinitrile
n-butyl mercaptan n-butyl mercaptan: hydrolytic product of merphos; RN given refers to parent cpd	2.04	1	0	alkanethiol
diethylamine [no description available]	2.31	1	0	secondary aliphatic amine
ethyl vinyl ether ethyl vinyl ether: structure	1.96	1	0
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	15.57	187	1	pyrrole; secondary amine
tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.	9.27	17	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.	8.64	9	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	8.62	69	1	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n,n'-methylenebisacrylamide [no description available]	2.05	1	0
isopropyl myristate isopropyl myristate: used for microemulsions; structure	5.03	2	1	fatty acid ester
n-hexane hexane : An unbranched alkane containing six carbon atoms.	3.66	9	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
1,4-butanediol butane-1,4-diol : A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).	2.02	1	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
2-ethoxyethanol 2-ethoxyethanol : A hydroxyether that is the ethyl ether derivative of ethylene glycol.	1.96	1	0	glycol ether; primary alcohol	protic solvent; teratogenic agent
cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.	3.85	3	0	cycloalkane; volatile organic compound	non-polar solvent
cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond.	2.98	4	0	cycloalkene
piperidine [no description available]	3.26	6	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
squalane [no description available]	2.05	1	0
1-hexanol 1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.	2.21	1	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
diethylenetriamine diethylenetriamine: RN given refers to parent cpd	2.31	1	0	polyazaalkane; triamine
diethanolamine diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.	2.13	1	0	ethanolamines	human xenobiotic metabolite
propyl ether [no description available]	2.06	1	0
bis(2-chloroethyl)ether bis(2-chloroethyl)ether: structure	2.04	1	0	ether
heptanal heptanal : An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer.	2.46	2	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	biomarker
n-butoxyethanol n-butoxyethanol: RN given refers to parent cpd; structure. 2-butoxyethanol : A primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a butoxy group. A high-boiling (171degreeC) colourless liquid, it is used as a solvent for paints and inks, as well as in some dry cleaning solutions.	3.14	1	0	glycol ether; primary alcohol	protic solvent
nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms.	8.19	5	0	alkane	plant metabolite; volatile oil component
bis(2-chloroethoxy)methane bis(2-chloroethoxy)methane: a solvent used in polysulfide elastomer production; structure in first source	2.04	1	0
dodecyltrimethylammonium dodecyltrimethylammonium: used to determine thermal stability of DNA; RN given refers to parent cpd. dodecyltrimethylammonium ion : A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.	2.89	3	0	quaternary ammonium ion
triethylene glycol triethylene glycol : A poly(ethylene glycol) that is octane-1,8-diol in which the carbon atoms at positions 3 and 6 have been replaced by oxygen atoms.	2.06	1	0	diol; poly(ethylene glycol); primary alcohol	plasticiser
methyl palmitate [no description available]	2.01	1	0	fatty acid methyl ester	metabolite
n-dodecane dodecane : A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger).	2.97	4	0	alkane	plant metabolite
dodecanol Dodecanol: A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). dodecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms.. dodecan-1-ol : A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops.	2.08	1	0	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite
glycofurol [no description available]	2.17	1	0	poly(ethylene glycol)
behenic acid behenic acid: RN given refers to parent cpd; structure. docosanoic acid : A straight-chain, C22, long-chain saturated fatty acid.	2.05	1	0	long-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
1-octadecene octadec-1-ene : An octadecene with unsaturation at C-1.. octadecene : An alkene that is octadecane containing one double bond at unspecified position.	2.1	1	0	octadecene
stearyl alcohol octadecan-1-ol : A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms.. octadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eighteen carbon atoms.	2.05	1	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
eicosane icosane : A straight chain alkane composed of 20 carbon atoms. It has been isolated from the leaves of Agave attenuata.	7.15	1	0	long-chain alkane	plant metabolite
methylergonovine Methylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)	3.33	1	1	ergoline alkaloid
propylene propylene: structure	10.2	15	0	alkene; gas molecular entity	refrigerant; xenobiotic
dimethyl ether dimethyl ether : An ether in which the oxygen atom is connected to two methyl groups.	4.2	5	0	ether
isobutylene 2-methylprop-1-ene : An alkene that is prop-1-ene substituted by a methyl group at position 2.	2.7	3	0	alkene; gas molecular entity
2,2,2-trichloroethanol [no description available]	1.96	1	0	chloroethanol	mouse metabolite
octafluorocyclobutane perfluorocyclobutane: structure in first source. octafluorocyclobutane : A fluorocarbon that is cyclobutane in which all eight hydrogens are replaced by fluorines.	1.96	1	0	cyclobutanes; fluorocarbon	food packaging gas; food propellant
oxyphenisatin acetate Oxyphenisatin Acetate: A laxative that undergoes enterohepatic circulation. It may cause jaundice.	1.95	1	0	benzoate ester; phenols
bromphenol blue Bromphenol Blue: A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.. bromophenol blue : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye.	2.03	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator
bromcresol purple Bromcresol Purple: An indicator and reagent. It has been used for several purposes including the determination of serum albumin concentrations. bromocresol purple : A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations.	2.31	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
pentaerythritol pentaerythritol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #6904. pentaerythritol : A tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of explosives, plastics, paints, appliances, and cosmetics.	2.1	1	0	primary alcohol; tetrol	flame retardant; laxative
tetrafluoroethylene tetrafluoroethylene: RN given refers to parent cpd; structure	2.4	2	0	fluorocarbon
tetradifon tetradifon: acaricide; ovicide on deciduous fruits, citrus, cotton and other crops; structure. tetradifon : A sulfone that is diphenylsulfone in which one of the phenyl groups is substituted by chlorine at position 4, while the other is substituted by a chlorine at positions 2, 4, and 5.	2.21	1	0	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.93	4	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants.	3.42	7	0	aromatic fungicide; chlorobenzenes	antifungal agrochemical; carcinogenic agent; persistent organic pollutant
chloranil Chloranil: A quinone fungicide used for treatment of seeds and foliage.. tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.	2.06	1	0	1,4-benzoquinones; organochlorine compound	EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite
trinitrotoluene Trinitrotoluene: A 2,4,6-trinitrotoluene, which is an explosive chemical that can cause skin irritation and other toxic consequences.. 2,4,6-trinitrotoluene : A trinitrotoluene having the nitro groups at positions 2, 4 and 6.	5.28	16	0	trinitrotoluene	explosive
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	10.19	17	5	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
2,4-dinitroanisole 2,4-dinitroanisole : A member of the class of dinitroanisoles that is 2-nitroanisole in which the hydrogen para to the methoxy group is replaced by a second nitro group.	7.59	2	0	dinitroanisoles	explosive
benzoin [no description available]	5.47	19	0	benzoins; secondary alpha-hydroxy ketone	EC 3.1.1.1 (carboxylesterase) inhibitor
tetralin tetralin: structure given in first source. tetralin : An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene.	2.06	1	0	ortho-fused bicyclic hydrocarbon; tetralins
isoquinoline [no description available]	2.37	2	0	azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
anthracene acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.	8.95	12	0	acene; anthracenes; ortho-fused tricyclic hydrocarbon
2-naphthoxyacetic acid 2-naphthoxyacetic acid: used as plant hormone to promote the growth of roots on clippings, to prevent fruit from falling prematurely; structure	2.53	2	0	naphthyloxyacetic acid
tropine [no description available]	2.33	2	0
dichlorprop dichlorprop: RN given refers to parent cpd without isomeric designation; structure. 2-(2,4-dichlorophenoxy)propanoic acid : An aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether.. dichlorprop : A racemate comprising equimolar amounts of (R)- and (S)-dichlorprop. It is widely used as a herbicide for killing annual and broad leaf weeds. Only the R-enantiomer has herbicidal activity; the S-enantiomer is inactive.	2.21	1	0	aromatic ether; dichlorobenzene; monocarboxylic acid
dibenzoylmethane dibenzoylmethane : A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.	1.97	1	0	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite
dimethyl 4-phthalate dimethyl 4-phthalate: solvent; structure. dimethyl terephthalate : A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics.	2.44	2	0	diester; methyl ester; phthalate ester
sulfoxide sulfoxide: synergistic insecticide for use with pyrethrum, allethrin, rotenone, ryania, etc.; RN given refers to parent cpd; structure. sulfoxide : An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H).	3.27	1	0	benzodioxoles
2,4-dichlorophenol 2,4-dichlorophenol: RN given refers to unlabeled parent+ cpd; structure. 2,4-dichlorophenol : A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.	4.35	19	0	dichlorophenol
cyclopentanone [no description available]	3.53	8	0	cyclopentanones	Maillard reaction product
2,4-dinitrotoluene 2,4-dinitrotoluene : A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.	2.45	2	0	dinitrotoluene
ethyl vanillin ethyl vanillin : A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group.	2.1	1	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
vanillic acid Vanillic Acid: A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).. vanillic acid : A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.	2.83	3	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
triethylamine [no description available]	2.78	3	0	tertiary amine
trimethyl phosphite trimethyl phosphite: structure. trimethyl phosphite : An organophosphorus compound that is phosphane in which the three hydrogens are replaced by methoxy groups. It is an alkylating agent used primarily in the synthesis of organophosphate compounds.	2.11	1	0	organophosphorus compound	alkylating agent
4-sulfanilic acid 4-sulfanilic acid: minor descriptor (75-82); online search SULFANILIC ACIDS; Index Medicus search BENZENESULFONATES. 4-aminobenzenesulfonic acid : An aminobenzenesulfonic acid that is aniline sulfonated at the para-position.	2.04	1	0	aminobenzenesulfonic acid	allergen; environmental contaminant; xenobiotic metabolite; xenobiotic
cyclonite cyclonite: explosive & convulsant; structure. 1,3,5-trinitro-1,3,5-triazinane : An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives.	3.28	6	0	1,3,5-triazinanes; N-nitro compound	explosive
1,4-naphthoquinone naphthoquinone : A polycyclic aromatic ketone metabolite of naphthalene.. 1,4-naphthoquinone : The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.	2.05	1	0	1,4-naphthoquinones
dimethyl phthalate dimethyl phthalate: used as plasticizer in computer mouse; structure	2.48	2	0	diester; methyl ester; phthalate ester
meglumine Meglumine: 1-Deoxy-1-(methylamino)-D-glucitol. A derivative of sorbitol in which the hydroxyl group in position 1 is replaced by a methylamino group. Often used in conjunction with iodinated organic compounds as contrast medium.. N-methylglucamine : A hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis.	7.5	2	0	hexosamine; secondary amino compound
1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1.	2.98	4	0	naphthylamine	human xenobiotic metabolite
fluorodeoxyuridylate Fluorodeoxyuridylate: 5-Fluoro-2'-deoxyuridylate. An inhibitor of thymidylate synthetase. Formed from 5-fluorouracil or 5-fluorodeoxyuridine.	2.01	1	0	pyrimidine 2'-deoxyribonucleoside 5'-monophosphate
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	4.33	18	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
pentacene [no description available]	2.75	3	0	acene; pentacenes
shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.	9.88	2	1	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
zephiramine [no description available]	2.02	1	0
nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)	4.53	4	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
dodecyl sulfate dodecyl sulfate: RN given refers to parent cpd; see also SODIUM DODECYL SULFATE	2.01	1	0	alkyl sulfate
diphenylcarbazide Diphenylcarbazide: Used as an indicator in titrating iron and for the colorimetric determination of chromium and the detection of cadmium, mercury, magnesium, aldehydes, and emetine.	2.08	1	0	phenylhydrazines
4-tert-octylphenol 4-tert-octylphenol: structure given in first source	2.1	1	0	alkylbenzene
estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.	2.06	1	0	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
n-butyl acrylate butyl acrylate : An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid.	2.04	1	0	acrylate ester
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	3.13	5	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
mesityl oxide mesityl oxide: solvent for extraction of nitrocellulose, many resins, & tellurium; structure	2.08	1	0	olefinic compound
2,6-diaminopyridine 2,6-diaminopyridine: structure in first source	2.08	1	0
ethyl acetoacetate ethyl acetoacetate: RN given refers to unlabeled parent cpd. ethyl acetoacetate : An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.	2.08	1	0	ethyl ester	antibacterial agent; flavouring agent; plant metabolite
hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid.	2.51	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
cupric acetate [no description available]	2.49	2	0
iminodiacetic acid iminodiacetic acid: used as hepatobiliary imaging agent when labeled with Tc; RN given refers to parent cpd; structure. iminodiacetic acid : An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.	2.06	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).	4.52	7	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
sodium cyanide Sodium Cyanide: A highly poisonous compound that is an inhibitor of many metabolic processes and is used as a test reagent for the function of chemoreceptors. It is also used in many industrial processes.. sodium cyanide : A cyanide salt containing equal numbers of sodium cations and cyanide anions.	2.67	3	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays.	2.55	2	0
pregnenolone [no description available]	3.04	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
copper phthalocyanine copper phthalocyanine: structure. copper(II) phthalocyanine : A metallophthalocyanine that is copper(2+) forming a coordination complex with phthalocyanine. It is a synthetic blue pigment which is used as a colorant in paints and dyes.	2.75	3	0
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	2.69	3	0	dithiocarbamic acids	chelator; copper chelator
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt 1,2-Dihydroxybenzene-3,5-Disulfonic Acid Disodium Salt: A colorimetric reagent for iron, manganese, titanium, molybdenum, and complexes of zirconium. (From Merck Index, 11th ed)	2.11	1	0	organic molecular entity
3-hydroxyanisole 3-hydroxyanisole: structure in first source. 3-methoxyphenol : A member of the class of phenols that is phenol having a methoxy-substituent at the 3-position.	2.15	1	0	monomethoxybenzene; phenols
1,4-dimethoxybenzene 1,4-dimethoxybenzene: structure given in first source	2.25	1	0	dimethoxybenzene
potassium cyanide [no description available]	2.38	2	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
aziridine [no description available]	3.19	1	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	1.96	1	0	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	6.29	10	1	catechin	antioxidant; plant metabolite
thiamine pyrophosphate Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate.	2.39	2	0	organic chloride salt; vitamin B1
phenetidine Phenetidine: Used in the manufacture of acetophenetidin.. 4-ethoxyaniline : An aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin.	6.93	1	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
coronene coronene: structure. coronene : A ortho- and peri-fused polycyclic arene that consists of six peri-fused benzene rings.	2.11	1	0	ortho- and peri-fused polycyclic arene
perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.	4.47	21	0	ortho- and peri-fused polycyclic arene; perylenes
fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring.	3.01	4	0	ortho- and peri-fused polycyclic arene
triphenylene triphenylene: structure. triphenylene : An ortho-fused polycyclic arene consisting of four fused benzene rings.	2.07	1	0	ortho-fused polycyclic arene
chrysene chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar.	2.59	2	0	ortho-fused polycyclic arene	plant metabolite
cinnoline cinnoline: structure in first source. cinnoline : An azaarene that is the 1,2-diaza analogue of naphthalene. The parent of the class of cinnolines.	2.06	1	0	azaarene; cinnolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	3.4	7	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.	3.49	8	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	3.33	6	0	indazole
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.	2.74	3	0	1-benzofurans; benzofuran
benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.	10.24	3	1	1,3-benzoxazoles; mancude organic heterobicyclic parent
indolizine [no description available]	2.06	1	0	indolizines; mancude organic heterobicyclic parent
adamantane Adamantane: A tricyclo bridged hydrocarbon.	9.86	10	0	adamantanes; polycyclic alkane
cyclohexene oxide cyclohexene oxide: inhibitor of epoxide hydrase; structure	2.25	1	0
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	5.16	44	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	7.73	3	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	10.62	23	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	8	38	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
1,2,4-triazole 1,2,4-triazole: RN given refers to 1H-1,2,4-triazole	3.47	7	0	1,2,4-triazole
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	8.54	8	0	diazine; pyrimidines	Daphnia magna metabolite
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	3.78	10	0	diazine; pyrazines	Daphnia magna metabolite
12-crown-4 12-crown-4: structure in first source. 12-crown-4 : A crown ether that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 have been replaced by oxygen atoms.	7.06	1	0	crown ether; saturated organic heteromonocyclic parent
methylphenazonium methosulfate Methylphenazonium Methosulfate: Used as an electron carrier in place of the flavine enzyme of Warburg in the hexosemonophosphate system and also in the preparation of SUCCINIC DEHYDROGENASE.	2.07	1	0	azaheterocycle sulfate salt; phenazines
ephedrine Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively.	2.34	2	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
hydrazine diamine : Any polyamine that contains two amino groups.	4.68	28	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
thiocyanate thiocyanate: RN given refers to parent cpd. thiocyanate : A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.	2.94	4	0	pseudohalide anion; sulfur molecular entity	human metabolite
2h-benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy- 2H-Benzo(a)quinolizin-2-ol, 2-Ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-: Proposed catecholamine depletor.	2.11	1	0
perfluorooctane perfluorooctane: used in the treatment of giant retinal tears with proliferative vitreoretinopathy	2.11	1	0	fluoroalkane; fluorocarbon
paraoxon [no description available]	4.35	18	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
evans blue Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.	2.5	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
aminophylline Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.. aminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.	3.8	1	1	mixture	bronchodilator agent; cardiotonic drug
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	2.6	1	0	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
linuron Linuron: A selective pre- and post-emergence herbicide. (From Merck Index, 11th ed). linuron : A member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3.	2.05	1	0	dichlorobenzene; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
methyl triflate [no description available]	7.42	2	0
diazomethane Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group.	5.05	42	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
perfluorooctanoic acid perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid.	3.9	11	0	fluoroalkanoic acid	carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic
diethyl sulfide ethyl sulfide : An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group.. diethyl sulfide : An ethyl sulfide compound having two ethyl groups attached to a sulfur atom.	1.96	1	0	ethyl sulfide
1,1,1-trichloro-2,2,2-trifluoroethane [no description available]	1.96	1	0
perfluoromethylcyclohexane [no description available]	2.1	1	0
perflexane perfluorohexane : A fluoroalkane that is hexane in which all of the hydrogens have been replaced by fluorines.	2.41	1	0	fluoroalkane; fluorocarbon; volatile organic compound	non-polar solvent; radioopaque medium
aminoimidazole carboxamide Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.	2.02	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	1.95	1	0	ergoline alkaloid
benzenediazonium benzenediazonium: RN given refers to parent cpd. benzenediazonium : The aromatic diazonium ion formed from diazotisation of aniline.	2.04	1	0	aromatic diazonium ion	hapten
2-fluoroethanol [no description available]	1.96	1	0
cyanoacetic acid cyanoacetic acid: RN given refers to parent cpd; structure. cyanoacetic acid : A monocarboxylic acid that consists of acetic acid bearing a cyano substituent.	2.06	1	0	monocarboxylic acid
citrulline citrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.	3.12	5	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
betamethasone Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)	2.46	2	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
hexafluorobenzene [no description available]	2.43	2	0	fluorobenzenes; fluorocarbon	NMR chemical shift reference compound
fluroxene fluroxene: was heading 1973-94; use ETHERS to search FLUROXENE 1973-94	1.99	1	0	organofluorine compound
trifluoroacetic anhydride [no description available]	2.01	1	0
silicon carbide silicon carbide: fibers used for reinforcement of porcelain crowns; a feldspathic body (gingival) porcelain; used to coat titanium hip prostheses	4.1	14	0	organosilicon compound
cyanamide Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.	8.13	5	0	nitrile; one-carbon compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
3-fluorobenzoic acid [no description available]	2.05	1	0	fluorobenzoic acid
4-fluorobenzoic acid [no description available]	2.1	1	0	fluorobenzoic acid	bacterial xenobiotic metabolite
cyanogen cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups.	4.34	18	0	dinitrile; pseudohalogen
dicyandiamido dicyandiamido: RN given refers to parent cpd; structure. cyanoguanidine : A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs.	3.36	6	0	guanidines; nitrile	curing agent; explosive; fertilizer; flame retardant; nitrification inhibitor
hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.	2.37	2	0	imidazolidine-2,4-dione
fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.	2.9	4	0	monofluorobenzenes	NMR chemical shift reference compound
propadiene [no description available]	6.01	20	0	allenes
ketene ketene: structure. ketene : Carbonyl compounds where the C=O bond is conjugated to an alkylidene group.	4.36	19	0	ketene
carbonyl sulfide carbonyl sulfide: structure. carbonyl sulfide : A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds.	3.09	1	0	one-carbon compound; organosulfur compound
neopentane pediocin 5: from Pediococcus acidilactici UL5; 43 amino acid residues	2.94	4	0	alkane
dextropropoxyphene Dextropropoxyphene: A narcotic analgesic structurally related to METHADONE. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect.. propoxyphene : A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.. dextropropoxyphene : The (1S,2R)-(+)-diastereoisomer of propoxyphene.	1.94	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
propiolic acid propiolic acid: RN given refers to parent cpd; structure. propynoic acid : A terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond.	4.65	8	0	acetylenic fatty acid; alpha,beta-unsaturated monocarboxylic acid; monounsaturated fatty acid; short-chain fatty acid; terminal acetylenic compound	xenobiotic metabolite
methylguanidine Methylguanidine: A product of putrefaction. Poisonous.. methylguanidine : A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group.	2.08	1	0	guanidines	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin
limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.	7.06	32	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
hopane hopane: RN given refers to cpd without isomeric designation	2.51	2	0	terpenoid fundamental parent; triterpene
pinane pinane: RN given refers to cpd without isomeric designation. pinane : A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6.	2.11	1	0	carbobicyclic compound; monoterpene; terpenoid fundamental parent	plant metabolite
glycocholic acid Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.. glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.. glycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	1.95	1	0	bile acid glycine conjugate	human metabolite
fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.	5.92	7	1
rhein [no description available]	2.51	2	0	dihydroxyanthraquinone
nitramine nitramine : Amines substituted at N with a nitro group (a contracted form of N-nitroamines); they are thus amides of nitric acid, and the class is composed of nitramide, O2NNH2, and its derivatives formed by substitution.. N-methyl-N-picrylnitramine : A nitramine that is methylamine in which one of the hydrogens attached to the nitrogen is substituted by a nitro group while the other is substituted by a 2,4,6-trinitrophenyl group. A yellow crystalline powder, it is a high explosive, capable of being detonated by friction, shock, or a spark.	2.06	1	0	nitramine	explosive
lucanthone Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46). lucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.	2.38	2	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
epitestosterone Epitestosterone: The 17-alpha isomer of TESTOSTERONE, derived from PREGNENOLONE via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.. epitestosterone : An androstanoid that is the C-17 epimer of testosterone.	2.05	1	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
aloe emodin aloe emodin: structure distinct from emodin; this does not mean emodin from aloe. Aloe emodin : A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe.	2.05	1	0	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite
9-phenanthrol 9-phenanthrol: an inhibitor of AMP-dependent protein kinase catalytic subunit; structure in first source. 9-phenanthrol : A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group.	2.15	1	0	phenanthrol	TRPM4 channel inhibitor
reticulin Reticulin: A scleroprotein fibril consisting mostly of type III collagen. Reticulin fibrils are extremely thin, with a diameter of between 0.5 and 2 um. They are involved in maintaining the structural integrity in a variety of organs.	2.08	1	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	plant metabolite
lumazine lumazine: structure. 2,4-dihydroxypteridine : Any dihydroxypteridine in which the two hydroxy substituents are located at positions 2 and 4.. lumazine : A 2,4-dihydroxypteridine.	2.71	3	0	2,4-dihydroxypteridine
kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.	2.05	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
methyl red methyl red: RN given refers to parent cpd; structure. methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group.	2.57	2	0
indan indan: structure in first source. indane : An ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 (o)C) colourless liquid.	2.08	1	0	indanes; ortho-fused bicyclic hydrocarbon
indoline indoline: structure given in first source	3.01	4	0	indoles
dithiol dithiol: structure	2.49	2	0
sodium carbonate sodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structure	3.16	5	0	carbonate salt; organic sodium salt
butenolide butenolide: inhibits experimental allergic encephalomyelitis in rats. butenolide : A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives.	2.02	1	0	butenolide
carvacrol carvacrol : A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1).	9.66	5	1	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
dipicolinic acid dipicolinic acid : A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6.	2.06	1	0	pyridinedicarboxylic acid	bacterial metabolite
indophenol Indophenol: A deep blue dye (with the formula OC6H4NC6H4OH) used to detect AMMONIA in a common test called the Berthelot's reaction and to detect PARACETAMOL by spectrophotometry.. indophenol : A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline.	1.96	1	0	quinone imine	dye
caprolactone hexano-6-lactone : A epsilon-lactone that is oxepane substituted by an oxo group at position 2.	3.33	6	0	epsilon-lactone
dimethylacetylene dimethylacetylene: structure in source	3.5	2	0
azomethane azomethane: structure	6.95	1	0
oxetane oxetane: structure. oxetane : A saturated organic heteromonocyclic parent that is a four-membered ring comprising of three carbon atoms and an oxygen atom.	2.17	1	0	oxetanes; saturated organic heteromonocyclic parent
isovaleric acid isovaleric acid: structure. isovaleric acid : A C5, branched-chain saturated fatty acid.	2.54	2	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.	2.06	1	0
1,3-propanediol propane-1,3-diol : The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.	3.25	5	0	propane-1,3-diols	metabolite; protic solvent
1,3-dithiane 1,3-dithiane: structure	7.41	1	0	dithiane
mustard gas Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.	2.05	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
margaric acid margaric acid: RN given refers to unlabeled parent cpd. heptadecanoic acid : A C17 saturated fatty acid and trace component of fats in ruminants.	2.02	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; mammalian metabolite
hexacosanoic acid hexacosanoic acid: a C(26) saturated acid. hexacosanoic acid : A 26-carbon, straight-chain, saturated fatty acid.	2.05	1	0	fatty acid 26:0; straight-chain saturated fatty acid; very long-chain fatty acid
cyanogen bromide Cyanogen Bromide: Cyanogen bromide (CNBr). A compound used in molecular biology to digest some proteins and as a coupling reagent for phosphoroamidate or pyrophosphate internucleotide bonds in DNA duplexes.	3.33	7	0
cyanogen chloride cyanogen chloride: structure	2.21	1	0
oleanolic acid [no description available]	2.48	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
tetranitromethane [no description available]	5.82	94	0	organonitrogen compound
dihydroergotamine Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.. dihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.	6.93	1	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
barium carbonate barium carbonate : An inorganic carbonate salt of barium.	6.93	1	0	carbonate salt; inorganic barium salt
abietic acid abietic acid : An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.	1.97	1	0	abietane diterpenoid; monocarboxylic acid	plant metabolite
hematoxylin Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink.	2.05	1	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.31	1	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
triphenylmethane triphenylmethane : A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes.	3.56	9	0	triarylmethane	environmental contaminant; xenobiotic
noramidopyrine noramidopyrine: RN given refers to parent cpd; structure. 4-(methylamino)antipyrine : A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole.	6.93	1	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
hesperidin Hesperidin: A flavanone glycoside found in CITRUS fruit peels.. hesperidin : A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.	3.22	6	0	3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside	mutagen
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	5.76	12	2	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.	7.01	21	1
angelicin angelicin: used as tranquillizer; sedative; or anticonvulsant; structure	2.15	1	0	furanocoumarin
dimenhydrinate gravinol: has antioxidant and ant-inflammatory activities; structure in first source	2.49	2	0	diarylmethane
1,2-naphthoquinone naphthalene-1,2-dione: structure given in first source. 1,2-naphthoquinone : The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles.	2.47	2	0	1,2-naphthoquinones	aryl hydrocarbon receptor agonist; carcinogenic agent
gluconic acid gluconic acid: zinc gluconate has anti-inflammatory activity; RN given refers to (D)-isomer; all RRs refers to (D)-isomer unless otherwise noted. ketogluconic acid : A gluconic acid that contains a ketonic carbonyl group.. D-gluconic acid : A gluconic acid having D-configuration.	2.46	2	0	gluconic acid	chelator; Penicillium metabolite
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	3.27	6	0	organic molecular entity
2,3,4,5,6-pentachloroaniline [no description available]	2.08	1	0
cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.	3.52	8	0	cellobiose	epitope
1,1-diphenylethylene 1,1-diphenylethylene: structure	2.03	1	0
chrysoidine chrysoidine: RN given refers to parent cpd; structure	1.97	1	0
tropolone Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).. tropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.	2.77	3	0	alpha-hydroxy ketone; cyclic ketone; enol	bacterial metabolite; fungicide; toxin
1,1-dimethoxyethane 1,1-dimethoxyethane : An acetal that is dimethoxymethane substituted by a methyl group at position 1.	2.05	1	0	acetal; diether	flavouring agent; plant metabolite
2-methylfuran 2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.	2.06	1	0	furans; volatile organic compound	flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite
4,6-dinitro-o-cresol 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure. 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.	3.65	2	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
phenylacetylene phenylacetylene: can polymerize into DENDRIMERS	2.96	4	0	benzenes
carinamide [no description available]	6.92	1	0
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	4.76	8	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
trilaurin trilaurin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by lauric (dodecanoic) acid.	2.25	1	0	dodecanoate ester; triglyceride
dicyclohexylcarbodiimide 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms.	3.24	6	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
tropone [no description available]	7.77	3	0
1,2-dichloroethylene 1,2-dichloroethylene: RN given refers to cpd without isomeric designation	8.63	9	0	chloroethenes
uranyl acetate uranyl acetate: used after fixation in uranaffin procedure; RN given refers to parent cpd	2.04	1	0
maleimide [no description available]	3.02	4	0	dicarboximide; maleimides	EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
1,3-dichlorobenzene 1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3.	2.51	2	0	dichlorobenzene
muscone muscone: structure in first source	4.61	1	1
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	4.84	30	0	dialdehyde	biomarker
2-chloroethyl methyl sulfide [no description available]	2.41	1	0
bis(chloromethyl) ether Bis(Chloromethyl) Ether: A substance that is an irritant to the eyes and respiratory tract and may be carcinogenic.. bis(chloromethyl) ether : An ether that is dimethyl ether in which one of the hydrogens attached to each of the methyl group has replaced by a chlorine.	2	1	0	ether; organochlorine compound	alkylating agent; carcinogenic agent
myristic acid Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.	9.67	6	1	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
n-hexadecane n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.	3.73	10	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
dimethylzinc [no description available]	2.02	1	0
triethylenephosphoramide Triethylenephosphoramide: An insect chemosterilant and an antineoplastic agent.	2.41	1	0	phosphoramide
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	2.15	1	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions.	2.41	1	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	8.89	12	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	2.98	4	0	phenoxazine
trimellitic anhydride trimellitic anhydride: structure. trimellitic anhydride : A 2-benzofuran compound having oxo groups at the 1- and 3-positions and a carboxy substituent at the 5-position; the cyclic anhydride formed from the carboxy groups at the 1- and 2-positions of trimellitic acid.	2.54	2	0	2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid	allergen; epitope; hapten
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	2.51	2	0
neutral red Neutral Red: A vital dye used as an indicator and biological stain. Various adverse effects have been observed in biological systems.. neutral red : A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0.	3.79	10	0	hydrochloride	acid-base indicator; dye; two-colour indicator
4,4'-bipyridyl 4,4'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'.	2.1	1	0	bipyridine
2,4-dichloroaniline 2,4-dichloroaniline: RN given refers to parent cpd. 2,4-dichloroaniline : A dichloroaniline carrying chloro substituents at positions 2 and 4.	2.11	1	0	dichloroaniline
3-nitrophenol [no description available]	2.49	2	0	3-nitrophenols
trimesic acid trimesic acid: RN given refers to parent cpd. benzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5.	2.78	3	0	benzoic acids; tricarboxylic acid
tripalmitin tripalmitin: structure. tripalmitin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid.	2.45	2	0	triglyceride
glycylglycine [no description available]	2.15	1	0	dipeptide zwitterion; dipeptide	human metabolite
glycidol glycidol: structure given in first source	1.96	1	0	epoxide; primary alcohol
diethylzinc [no description available]	2.04	1	0
lignoceric acid lignoceric acid: RN given refers to parent cpd; structure. tetracosanoic acid : A C24 straight-chain saturated fatty acid.	2.05	1	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
glycerylphosphorylcholine Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed)	2.08	1	0	glycerophosphocholine
silver acetate silver acetate: RN refers to acetic acid, silver (1+) salt	2.46	2	0
siderite ferrous carbonate : A carbonate salt in which the counter-ion is iron in the +2 oxidation state.	2.93	4	0	carbonate mineral; carbonate salt; iron molecular entity; one-carbon compound
diepoxybutane diepoxybutane: difunctional alkylating agent; RN given refers to cpd with unspecified isomeric designation; structure	1.99	1	0	epoxide	mutagen
malachite green malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.	3.72	9	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
1,4-naphthohydroquinone naphthohydroquinone : A hydroxynaphthalene that is naphthalene-1,4-diol and its C-substituted derivatives.	2.05	1	0	naphthalenediol; naphthohydroquinone
congo red Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.	4.06	13	0	bis(azo) compound
2-naphthol orange Acid Orange II: structure in first source	2.77	3	0
2,6-xylenol [no description available]	2	1	0	hydroxytoluene
docusate Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.	2.15	1	0	diester; organosulfonic acid
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	2.25	1	0	flavonols; monohydroxyflavone
1,2-dibromobenzene dibromobenzene : Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions.	2.13	1	0	dibromobenzene
potassium carbonate potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid.	2.74	3	0	carbonate salt; potassium salt	catalyst; fertilizer; flame retardant
nitrosobenzene [no description available]	2.4	2	0	benzenes; nitroso compound	xenobiotic metabolite
diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.	7.67	3	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
3-methylhexane 3-methylhexane: a biliary biomarker for cholangiocarcinoma. 3-methylhexane : An alkane that is hexane substituted by a methyl group at position 3.	2.44	2	0	alkane; volatile organic compound	human metabolite
3-aminophenol 3-aminophenol: RN given refers to parent cpd. 3-aminophenol : An aminophenol that is one of three amino derivatives of phenol which has the single amino substituent located meta to the phenolic -OH group.	2.17	1	0	aminophenol
3,5-dichlorophenol 3,5-dichlorophenol : A dichlorophenol in which the two chloro substituents are located at positions 3 and 5.	2.11	1	0	dichlorophenol
iodobenzene iodobenzene: RN given refers to unlabeled parent cpd	2.71	3	0
levulinic acid levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316. 4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position.	2.9	3	0	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite
methyl n-butyl ketone Methyl n-Butyl Ketone: An industrial solvent which causes nervous system degeneration. MBK is an acronym often used to refer to it.. hexanone : A ketone that is a hexane carrying an oxo substituent at unspecified position.	2.15	1	0	ketone
mercuric cyanide [no description available]	6.96	1	0	mercury coordination entity
1-hexene 1-hexene: structure in first source. 1-hexene : An alkene that is hexane carrying a double bond at position 1.	7.75	3	0	alkene
1,3-cyclohexadiene 1,3-cyclohexadiene: structure given in first source	2.06	1	0	cyclohexadiene
allyl sulfide allyl sulfide: essence of garlic; inhibits CYP2E1	3.14	5	0	organic sulfide
octadecane octadecane: RN given refers to parent cpd. octadecane : A straight-chain alkane carrying 18 carbon atoms.	2.13	1	0	long-chain alkane	bacterial metabolite; plant metabolite
fluoromethane fluoromethane: RN given refers to parent cpd. fluorocarbon : Compounds consisting wholly of fluorine and carbon.. fluoromethane : A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom.	8.91	12	0	fluorohydrocarbon; fluoromethanes; methyl halides	refrigerant
vinyl bromide vinyl bromide: structure	1.96	1	0	bromoalkene; monohaloethene
methylisonitrile methylisonitrile: structure	2	1	0	isocyanide
ethane sulfonate [no description available]	2.03	1	0	alkanesulfonic acid
diisopropylnitrosamine [no description available]	1.96	1	0
triphenylphosphine triphenylphosphine: RN given refers to parent cpd. triphenylphosphine : A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups.	2.77	3	0	benzenes; tertiary phosphine	NMR chemical shift reference compound; reducing agent
dansyl chloride dansyl chloride: RN given refers to unlabeled cpd	2.04	1	0	aminonaphthalene; sulfonic acid derivative
1,3-indandione 1,3-indandione : A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups.	1.97	1	0	aromatic ketone; beta-diketone; indanones
5-nitroquinoline [no description available]	2.1	1	0
2,6-dibromophenol 2,6-dibromophenol : A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines.	2.1	1	0	bromohydrocarbon; dibromophenol	marine metabolite
2,4-dibromophenol 2,4-dibromophenol : A bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines.	2.1	1	0	brominated flame retardant; bromophenol; dibromobenzene	marine metabolite
methyl carbonate methyl carbonate: RN given refers to unlabeled parent cpd; structure. dimethyl carbonate : A carbonate ester that is carbonic acid in which both hydrogens are replaced by methyl groups. A flammable, colourless liquid (m.p. 2-4degreeC, b.p. 90degreeC) with a characterstic ester-like odour, it is used as a 'green' methylating agent and as a solvent.	2.05	1	0	carbonate ester	reagent; solvent
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	3.84	11	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
4-cyanobenzoic acid [no description available]	2.03	1	0
4-hydrazinobenzoic acid 4-hydrazinobenzoic acid: structure given in first source	2.06	1	0
4,4'-bisphenol f 4,4'-bisphenol F: RN given refers to parent cpd. bisphenol F : A bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups.	2.05	1	0	bisphenol; diarylmethane	environmental food contaminant; xenoestrogen
methyl butyrate [no description available]	2.31	1	0	fatty acid ester
diazoacetic ester diazoacetic ester: structure	3.3	6	0
methyl nitrite [no description available]	6.98	1	0
dimethyl disulfide [no description available]	7.92	4	0	organic disulfide	xenobiotic metabolite
2,5-dimethylfuran 2,5-dimethylfuran: metabolite of n-hexane. 2,5-dimethylfuran : A member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by methyl groups.	2.06	1	0	furans	antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite
1,4-cyclohexadiene [no description available]	2.43	2	0	cyclohexadiene
1-octyne [no description available]	2.6	1	0
tridecane tridecane : A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus.	2.46	2	0	long-chain alkane	plant metabolite; volatile oil component
n-tetradecane tetradecane : A straight chain alkane consisting of 14 carbon atoms.	2.46	2	0	long-chain alkane	plant metabolite; volatile oil component
pentadecane pentadecane : A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae.	2	1	0	long-chain alkane	animal metabolite; plant metabolite; volatile oil component
heptadecane heptadecane : A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa.	2.13	1	0	long-chain alkane	plant metabolite; volatile oil component
tetraphenylmethane [no description available]	4.6	7	0
1,1,3,3-tetramethylurea 1,1,3,3-tetramethylurea: structure. 1,1,3,3-tetramethylurea : A member of the class of ureas that is urea substituted by methyl groups at positions 1, 1, 3 and 3 respectively. Metabolite observed in cancer metabolism.	1.94	1	0	ureas	human metabolite
c.i. 42510 Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.	4.08	14	0
brilliant green brilliant green: RN given refers to sulfate; structure in Merck Index, 9th ed, #1378. brilliant green : An organic hydrogensulfate salt having 4-{[4-(diethylamino)phenyl](phenyl)methylidene}-N,N-diethylcyclohexa-2,5-dien-1-iminium as the counterion.	8.09	5	0	organic hydrogensulfate salt	antibacterial agent; antiseptic drug; environmental contaminant; fluorochrome; histological dye; poison
ethyl tert-butyl ether ethyl tert-butyl ether: gasoline additive. tert-butyl ethyl ether : An ether having ethyl and tert-butyl as the two alkyl components. It is used as an engine fuel additive to reduce emissions of carbon monoxide and soot.	2.42	2	0	ether; volatile organic compound	fuel additive
succindialdehyde [no description available]	2.11	1	0	aldehyde
triphenyltin chloride triphenyltin chloride: see also triphenyltin acetate, triphenyltin hydroxide. fentin chloride : An organotin compound that is triphenylstannane in which the hydrogen attached to tin is replaced by a chloro group. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans.	2.21	1	0	chlorine molecular entity; organotin compound	antifungal agrochemical; immunosuppressive agent
erythromycin Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.	8.51	7	0	cyclic ketone; erythromycin
formal glycol [no description available]	2	1	0	cyclic acetal; dioxolane
docosanol Tadenan: from powdered bark of Pygaeum africanum (Rosaceae), see also heading for docosanol (a priciple ingredient of extract). docosan-1-ol : A long-chain primary fatty alcohol that is docosane substituted by a hydroxy group at position 1. It is a non-prescription medicine approved by the FDA to shorten healing time of cold sores.. docosanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twenty-two carbon atoms.	2.08	1	0	docosanol; long-chain primary fatty alcohol	antiviral drug; plant metabolite
homoserine homoserine : An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group.. L-homoserine : The L-enantiomer of homoserine.	7.96	4	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
nitrosoguanidines Nitrosoguanidines: Nitrosylated derivatives of guanidine. They are used as MUTAGENS in MOLECULAR BIOLOGY research.	3.45	8	0
2-piperidone 2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.	2.05	1	0	delta-lactam; piperidones	EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
tetramethoxysilane [no description available]	2.06	1	0
methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.	2.37	2	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
dimethyl methylphosphonate [no description available]	4.42	6	0
acetylenedicarboxylic acid dimethyl ester acetylenedicarboxylic acid dimethyl ester: inhibitor of oxidative phosphorylation	2.73	3	0
4-cyanophenol 4-cyanophenol: reversible monoamine oxidase inhibitor	2.25	1	0	phenols	EC 1.4.3.4 (monoamine oxidase) inhibitor
norflurane norflurane: may replace R 12 as air-conditioning refrigerant; structure given in first source	2.08	1	0
diethyl chlorophosphate diethylchlorophosphate: structure in first source	2.13	1	0
1,6-hexamethylene diisocyanate hexamethylene diisocyanate : A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.	2.1	1	0	diisocyanate	allergen; hapten
4-iodobenzenesulfonamide 4-iodobenzenesulfonamide: used as carrier for red cell labelling	2.6	1	0
4-nitrophenyl acetate [no description available]	2.1	1	0	C-nitro compound; phenyl acetates
ametryne ametryne: minor descriptor (72-83); on-line & Index Medicus search HERBICIDES, TRIAZINE (75-83) & HERBICIDES (72-74) & TRIAZINES (72-74); RN given refers to unlabeled cpd; structure. ametryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by an ethylamino and an isopropylamino group at positions 4 and 6 respectively.	2.13	1	0	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide
1-phenylazo-2-naphthol 1-phenylazo-2-naphthol: RN given refers to cpd without isomeric designation	2.49	2	0
boldenone boldenone: RN given refers to (17beta)-isomer. boldenone : An 3-oxo-Delta(1),Delta(4)-steroid substituted by an oxo group at position 3 and a beta-hydroxy group at position 17. It is an anabolic androgenic steroid that has been developed for veterinary use.	2.05	1	0	17beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; anabolic androgenic steroid
hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol.	2.99	4	0	enoate ester	allergen; polymerisation monomer
vinylene carbonate [no description available]	2.04	1	0
n-methylpyrrolidone 1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.	2.46	2	0	lactam; N-alkylpyrrolidine; pyrrolidin-2-ones	polar aprotic solvent
amaranth dye Amaranth Dye: A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics. (From Merck Index, 11th ed)	3.19	5	0
hexafluoroisopropanol 1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.	3	4	0	organofluorine compound; secondary alcohol	drug metabolite
dodecylamine dodecylamine: RN given refers to parent cpd	2.08	1	0	primary aliphatic amine
cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2.	2.46	2	0	alicyclic ketone; enone	Hsp70 inducer
2-cyclohexen-1-one 2-cyclohexen-1-one: RN given refers to unlabeled cpd with specified locant for double bond. cyclohexenone : The parent compound of the cyclohexenones, composed of cyclohexanone having one double bond in the ring.. cyclohex-2-enone : A cyclohexenone having its C=C double bond at the 2-position.	2.45	2	0	cyclohexenone
1-methylpyridinium 1-methylpyridinium: RN given refers to parent cpd	2.63	3	0	methylpyridines
laurolactam laurolactam: structure in first source	2.77	3	0	azamacrocycle; keratan 6'-sulfate
deoxycytidine [no description available]	8.2	17	2	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyuridine [no description available]	2.64	3	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
testolactone Testolactone: An antineoplastic agent that is a derivative of progesterone and used to treat advanced breast cancer.	2.64	3	0	3-oxo-Delta(1),Delta(4)-steroid; seco-androstane
rhodamine 6g rhodamine 6G: RN given refers to HCl	3	4	0
methylphosphonic acid methylphosphonic acid : A one-carbon compound that is phosphonic acid in which the hydrogen attached to the phosphorus is substituted by a methyl group.	10.43	16	0	one-carbon compound; phosphonic acids
hexamethylsilazane hexamethylsilazane: RN given refers to parent cpd	2.05	1	0	N-silyl compound	chromatographic reagent
2,5-dimethyltetrahydrofuran 2,5-dimethyltetrahydrofuran: structure given in first source	2.07	1	0
2,4,6-triaminopyrimidine 2,4,6-triaminopyrimidine: see also 2,4,6-triaminopyridinium (cation). 2,4,6-triaminopyrimidine : An aminopyrimidine in which a pyrimidine core carries amino substituents at positions 2, 4 and 6.	2.05	1	0	aminopyrimidine
adenosine 5'-tetraphosphate adenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase.	2.43	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate
ammonium bicarbonate ammonium bicarbonate: see also record for ammonium carbonate (di-NH4 salt)	7.54	2	0	organooxygen compound
1-aminomethylphosphonic acid 1-aminomethylphosphonic acid: RN given refers to parent cpd. (aminomethyl)phosphonic acid : A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.	2.15	1	0	one-carbon compound; phosphonic acids
ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.	2.13	1	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
cyanoacetylene cyanoacetylene: structure in first source	2.17	1	0
4-vinylbenzoic acid [no description available]	2.25	1	0
benzyl viologen Benzyl Viologen: 1,1'-Bis(phenylmethyl)4,4'-bipyridinium dichloride. Oxidation-reduction indicator.	1.95	1	0	bipyridines
undecane undecane : A straight-chain alkane with 11 carbon atoms.	2.46	2	0	alkane
1,3-propane sultone 1,3-propane sultone: sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid; structure	2.02	1	0	sultone
pyridine-2-carboxaldehyde pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.	2.13	1	0	pyridinecarbaldehyde
3,3',4',5-tetrachlorosalicylanilide 3,3',4',5-tetrachlorosalicylanilide : A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety.	2.67	3	0	dichlorobenzene; salicylanilides	drug allergen
decabromobiphenyl ether decabromobiphenyl ether: a flame retardant. decabromodiphenyl ether : A polybromodiphenyl ether that is diphenyl ether in which all of the hydrogens have been replaced by bromines.	2.1	1	0	polybromodiphenyl ether	neurotoxin
methyltrimethoxysilane [no description available]	2.25	1	0
1,6-hexanedithiol 1,6-hexanedithiol: structure in first source	2.51	2	0	alkanethiol
4-aminothiophenol [no description available]	3.2	5	0
methyl phenyl sulfoxide (methylsulfinyl)benzene : A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole.	1.96	1	0	benzenes; sulfoxide
1-amino-2-naphthol [no description available]	2.11	1	0
phenazocine Phenazocine: An opioid analgesic with actions and uses similar to MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1095)	1.95	1	0
carmine Carmine: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.	5.04	2	1
gallium arsenide [no description available]	3.21	5	0
calcium peroxide [no description available]	2.72	2	0	calcium oxides
durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).	10.01	149	1
cadmium oxide cadmium oxide: causes severe lung damage; RN given refers to parent cpd	2.83	3	0
cadmium sulfide [no description available]	10.43	18	0	cadmium molecular entity
potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH	4.43	20	0	alkali metal hydroxide
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	5.79	80	0	alkali metal hydroxide
manganese dioxide [no description available]	4.63	24	0	manganese molecular entity; metal oxide
molybdenum trioxide [no description available]	2.42	2	0	molybdenum oxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	15.92	132	1	zinc molecular entity
vanadium pentoxide [no description available]	3.47	7	0	vanadium oxide
lead sulfide lead sulfide: surma refers to fine powder-like mascara, applied to conjunctival surfaces of eyes; originally contained antimony sulfide (derived from Urdu word for antimony); recently lead sulfide has been used due to scarcity of antimony; RN given refers to cpd with MF of Pb-S; galena is the principal ore of lead sulfide. Black kohl stone and red-brown kohl stone are widely used in eye cosmetics in the Middle East, Asia and Africa	3.01	4	0
molybdenum disulfide [no description available]	4.33	17	0	sulfide salt
ferrous sulfide ferrous sulfide: RN given refers to cpd with MF of Fe-S; mackinawite & troilite both have MF Fe-S	4.48	6	0
cupric sulfide copper(II) sulfide : A copper sulfide in which the metal is in the +2 oxidation state.	2.9	3	0
4-chloro-2-cresol 4-chloro-2-cresol: metabolite of 2-methyl-4-chlorophenoxyacetic acid & other phenoxyacetic acid herbicides; RN given refers to parent cpd. 4-chloro-2-methylphenol : A member of the class of phenols that is o-cresol in which the hydrogen para to the hydroxy group is replaced by a chlorine.	2.11	1	0	monochlorobenzenes; phenols
monolaurin monolaurin: RN given refers to cpd with unspecified monolaurin locant. 1-monolauroylglycerol : A 1-monoglyceride with dodecanoyl (lauroyl) as the acyl group.. rac-1-monolauroylglycerol : A rac-1-monoacylglycerol comprising equal amounts of 1-lauroyl-sn-glycerol and 3-lauroyl-sn-glycerol	2.74	3	0	1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol
beta-pinene beta-pinene: alpha-pinene is also available. beta-pinene : An isomer of pinene with an exocyclic double bond. It is a component of essential oils from many plants.	2.08	1	0	pinene	plant metabolite
hydrofluoric acid Hydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.. hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.. organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond.	4.09	14	0	hydrogen halide; mononuclear parent hydride	NMR chemical shift reference compound
ammonium hydroxide Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water.	7.31	1	0	inorganic hydroxy compound	food acidity regulator
tricarballylic acid tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.	2.06	1	0	tricarboxylic acid
ferrous oxide [no description available]	2.49	2	0	iron oxide
vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.	3.42	7	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
glycyrrhizic acid glycyrrhizinic acid : A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.	2.11	1	0	enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin	EC 3.4.21.5 (thrombin) inhibitor; plant metabolite
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	3.92	12	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
tocopherols [no description available]	2.25	1	0
1,2-epoxyhexane [no description available]	4.61	1	1
selenomethionine [no description available]	2.03	1	0	selenoamino acid; selenomethionines	plant metabolite
bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.	3.74	10	0	diarylmethane
methyl tert-butyl ether methyl tert-butyl ether: used to dissolve gallstones; gasoline additive. methyl tert-butyl ether : An ether having methyl and tert-butyl as the two alkyl components.	3.91	12	0	ether	fuel additive; metabolite; non-polar solvent
malaoxon malaoxon: minor descriptor (72-83); on-line & Index Medicus search MALATHION/AA (72-83). malaoxon : A racemate comprising equimolar amounts of (R) and (S)-malaoxon. It is the active insecticide of the proinsecticide malathion.. diethyl 2-[(dimethoxyphosphoryl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphoryl)thio group.	2.06	1	0	diester; ethyl ester; organic thiophosphate
tert-butyl acrylate tert-butyl acrylate: structure in first source	2.05	1	0
spectinomycin Spectinomycin: An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of GONORRHEA.. spectinomycin dihydrochloride : A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.. spectinomycin : A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.	2.66	2	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
2,5-dihydrofuran 2,5-dihydrofuran: structure in first source	1.96	1	0
decane decane : A straight-chain alkane with 10 carbon atoms.	7.99	4	0	alkane
4-octylphenol 4-octylphenol: xenoestrogen. 4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.	2.06	1	0	phenols	metabolite; surfactant; xenoestrogen
stearylamine stearylamine: RN given refers to parent cpd. octadecan-1-amine : An 18-carbon primary aliphatic amine.	2.98	4	0	primary aliphatic amine	film-forming compound
4-hydroxyphenoxyacetic acid [no description available]	2.08	1	0	monocarboxylic acid
ethyldimethylaminopropyl carbodiimide Ethyldimethylaminopropyl Carbodiimide: Carbodiimide cross-linking reagent.	3.3	6	0
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.	4.16	3	1	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.	3.66	9	0	organic cation	geroprotector; herbicide
picloram Picloram: A picolinic acid derivative that is used as a herbicide.. picloram : A pyridinemonocarboxylic acid that is pyridine-2-carboxylic acid which is substituted by a chloro group at positions 3,5 and 6, and by an amino group at position 4. It is a systemic herbicide used to control deeply rooted herbaceous weeds and woody plants in rights-of-way, forestry, range lands, pastures, and small grain crops.	2.6	1	0	aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid	herbicide; synthetic auxin
orange g orange G : An organic sodium salt that is the disodium salt of 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid. It is often combined with other yellow dyes in alcoholic solution to stain erythrocytes in trichrome methods, and is used for demonstrating cells in the pancreas and pituitary.	2.13	1	0
tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd	2.85	3	0	quaternary ammonium ion
2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.	3	4	0	hydroquinones	food antioxidant
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	4.55	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	3.25	6	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.	1.95	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
1,4-butanediol dimethacrylate [no description available]	2.05	1	0
1,6-diaminohexane 1,6-diaminohexane: Russian drug; RN given refers to parent cpd; structure. hexane-1,6-diamine : A C6 alkane-alpha,omega-diamine.	2.97	4	0	alkane-alpha,omega-diamine	human xenobiotic metabolite
4-chlorocatechol 4-chlorocatechol : A chlorocatechol that is catechol substituted by a chloro group at position 4.	2.11	1	0	chlorocatechol; monochlorobenzenes	bacterial xenobiotic metabolite
2-amino-delta(2)-thiazoline-4-carboxylic acid 2-amino-delta(2)-thiazoline-4-carboxylic acid: RN given refers to parent cpd. 2-amino-Delta(2)-thiazoline-4-carboxylic acid : A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively.	2.21	1	0	1,3-thiazoles; amino acid zwitterion; sulfur-containing amino acid
diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.	11.72	6	3	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
n-isopropylacrylamide N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands	2.61	2	0
1,5-naphthalenediamine 1,5-diaminonaphthalene: structure in first source. naphthalene-1,5-diamine : A naphthalenediamine compound having amino substituents in the 1- and 5-positions.	2.49	2	0	naphthalenediamine	carcinogenic agent
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	3.9	11	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
nile blue Nile Blue: RN given refers to chloride; structure. nile blue A : An organic chloride salt having 5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium as the couterion. fluorescent dye which is also a potent photosensitiser for photodynamic therapy.	2.47	2	0
thioflavin t thioflavin T: RN given refers to chloride; structure. thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.	2.87	3	0	organic chloride salt	fluorochrome; geroprotector; histological dye
didecyldimethylammonium didecyldimethylammonium: RN given refers to parent cpd; deciquam 222 refers to bromide	2.04	1	0	quaternary ammonium salt
11-aminoundecanoic acid 11-aminoundecanoic acid: N1 is same as NM; first source discusses ammonium salt of the cpd; RN given refers to parent cpd	2.02	1	0	medium-chain fatty acid
fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position.	2.4	2	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
n-acetylimidazole [no description available]	2.65	3	0	N-acylimidazole
benzyl methacrylate [no description available]	2.17	1	0
sulfur hexafluoride Sulfur Hexafluoride: Sulfur hexafluoride. An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants.. sulfur hexafluoride : A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years).	7.8	29	2	sulfur coordination entity	greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent
victoria blue b victoria blue: no other info available 7/84. victoria blue B : An iminium salt composed of 4-{(4-anilinonaphthalen-1-yl)[4-(dimethylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It binds to nucleic acids and can be used in standardised staining techniques suitable for automated cell-pattern recognition.	2.42	2	0	iminium salt; organic chloride salt	fluorochrome; histological dye
direct red 81 Direct Red 81: RN given refers to disodium salt; structure given in first source. Sirius red 4B : An organic sodium salt resulting from the formal condensation of Sirius red 4B (acid form) with two equivalents of sodium hydroxide. Used as the plasma stain in some trichrome staining methods.	2.25	1	0
ponceau 4r ponceau 4R: structure in first source	2.84	3	0
ethamsylate Ethamsylate: Benzenesulfonate derivative used as a systemic hemostatic.	2.03	1	0	organosulfur compound; sulfonic acid derivative
1,2-benzisothiazoline-3-one 1,2-benzisothiazoline-3-one: a preservative in water-based solutions such as paints, cutting fluids, printing inks, cleaning agents, polyvinyl chloride gloves, etc.. benzo[d]isothiazol-3-one : An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.	2.11	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound	disinfectant; drug allergen; environmental contaminant; platelet aggregation inhibitor; sensitiser; xenobiotic
n,n-dimethylacrylamide [no description available]	2.31	1	0
octogen octogen: an explosive compound, contaminant in waste water; structure given in third source. octogen : A tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group.	2.7	3	0	N-nitro compound; tetrazocane	explosive
nitrosyl chloride nitrosyl chloride: a strong oxidizing agent; capable of nitrosylating organic compounds and thereby generating mutagens or promutagens	2.46	2	0
2-(dimethylamino)ethyl methacrylate 2-(dimethylamino)ethyl methacrylate: reducing agent; structure given in first source	2.07	1	0
metobromuron metobromuron: structure	2.17	1	0	ureas
n-isopropyl-n-phenyl-4-phenylenediamine N-isopropyl-N-phenyl-4-phenylenediamine: RN given refers to parent cpd; structure in sixth source	2.02	1	0
sudan red [no description available]	2.11	1	0
tert-butylcyclohexane [no description available]	2.11	1	0
copper(ii) nitrate copper(II) nitrate : An inorganic nitrate salt having copper(2+) as the couterion.	2.05	1	0	inorganic nitrate salt
didodecyldimethylammonium didodecyldimethylammonium: RN given refers to parent cpd	2.46	2	0
trimethylolpropane trimethacrylate trimethylolpropane trimethacrylate: acrylate derivative found in ultraviolet curing inks; structure in 1st source	2.21	1	0	carbonyl compound
2,2-bis(bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source	9.09	4	0	primary alcohol
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	4.74	28	0	fluorescein isothiocyanate
sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.	5.62	22	0	thujene	plant metabolite
mannose mannopyranose : The pyranose form of mannose.	4.31	19	0	D-aldohexose; D-mannose; mannopyranose	metabolite
dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.	6.35	12	1	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
palmatine burasaine: structure in first source	2.15	1	0	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
d.c. red no. 33 D.C. Red No. 33: RN given refers to disodium salt	2.11	1	0
2-pentylfuran 2-pentylfuran: structure in first source. 2-pentylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks.	2.25	1	0	furans	Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component
streptomycin [no description available]	8.83	11	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	5.64	72	0	carbon oxoanion
Brilliant Blue brilliant blue: coal tar derivative food dye; used as the di-NH4 or di-Na salts; RN given refers to parent cpd	2.25	1	0	organic molecular entity
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine 4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine: structure in first source	1.96	1	0
pentaethylenehexamine [no description available]	2.41	1	0
dimethylnitramine [no description available]	2.75	3	0
promethazine 1,3-dimethylimidazolium: structure in first source. 1,3-dimethylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is methyl.	3.21	1	0	1-alkyl-3-methylimidazolium
mono-(2-ethylhexyl)phthalate mono-(2-ethylhexyl)phthalate: RN given refers to parent cpd. mono(2-ethylhexyl) phthalate : The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.05	1	0	phthalic acid monoester
direct blue 71 Direct Blue 71: structure in first source	2.1	1	0
(3-mercaptopropyl)trimethoxysilane [no description available]	2.07	1	0
acetylthiocholine Acetylthiocholine: An agent used as a substrate in assays for cholinesterases, especially to discriminate among enzyme types.	2.7	3	0
carbenicillin Carbenicillin: Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function.. carbenicillin : A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain.	2.11	1	0	penicillin allergen; penicillin	antibacterial drug
1-hydroxypyrene 1-hydroxypyrene: pyrene metabolite; RN given refers to parent cpd	2.1	1	0	pyrenes
diaveridine diaveridine: RN given refers to parent cpd; structure. diaveridine : An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.	1.96	1	0	aminopyrimidine	antiparasitic agent; drug allergen
iodinated glycerol iodinated glycerol: secretolytic agent; RN given refers to cpd without iodine locant	2.85	3	0	dioxolane
limonene Limonene: A naturally-occurring class of MONOTERPENES which occur as a clear colorless liquid at room temperature. Limonene is the major component in the oil of oranges which has many uses, including as flavor and fragrance. It is recognized as safe in food by the Food and Drug Administration (FDA).. limonene : A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively.	9.98	11	0	cycloalkene; p-menthadiene	human metabolite
4-deethylatrazine desethylatrazine: a chlorotriazine herbicide; structure in first source. deethylatrazine : A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.	2.04	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	marine xenobiotic metabolite
4-(4-dimethylaminophenylazo)benzoic acid 4-(4-dimethylaminophenylazo)benzoic acid: structure given in first source	2.47	2	0
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	2.77	3	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
1-(2-methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene [no description available]	2.11	1	0
ammonium nitrate ammonium nitrate: structure. ammonium nitrate : The ammonium salt of nitric acid.	3.56	8	0	ammonium salt; inorganic molecular entity; inorganic nitrate salt	explosive; fertilizer; oxidising agent
sodium metasilicate sodium metasilicate: RN given refers to silicic acid, di-Na salt. sodium silicate : An inorganic sodium salt having silicate as the counterion.	2.01	1	0	inorganic sodium salt
tert-nitrosobutane [no description available]	2.38	2	0
coralyne coralyne: RN given refers to parent cpd; at this time it is not known for which salt NSC-154890 is synonym; structure; DNA topoisomerse antagonist	2.06	1	0	isoquinolines
propargyl ether propargyl ether: structure in first source	2.78	3	0
dysprosium Dysprosium: An element of the rare earth family that has the atomic symbol Dy, atomic number 66, and atomic weight 162.50. Dysprosium is a silvery metal used primarily in the form of various salts.	2.37	2	0	f-block element atom; lanthanoid atom
iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.	8.6	66	1	cobalt group element atom; platinum group metal atom
lanthanum [no description available]	5.94	32	0	f-block element atom; lanthanoid atom; scandium group element atom
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	6.7	70	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	9.86	94	1	elemental mercury; zinc group element atom	neurotoxin
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	7.48	89	0	chromium group element atom	micronutrient
neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications.	3.27	6	0	f-block element atom; lanthanoid atom
neon Neon: A noble gas with the atomic symbol Ne, atomic number 10, and atomic weight 20.18. It is found in the earth's crust and atmosphere as an inert, odorless gas and is used in vacuum tubes and incandescent lamps.	3.93	13	0	monoatomic neon; noble gas atom; p-block element atom
niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb.	9.19	16	0	vanadium group element atom
osmium Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os.	8.89	11	0	iron group element atom; platinum group metal atom
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	11.82	316	1	metal allergen; nickel group element atom; platinum group metal atom
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.	9.72	277	0	elemental platinum; nickel group element atom; platinum group metal atom
plutonium Plutonium: A naturally radioactive element of the actinide metals series. It has the atomic symbol Pu, and atomic number 94. Plutonium is used as a nuclear fuel, to produce radioisotopes for research, in radionuclide batteries for pacemakers, and as the agent of fission in nuclear weapons.	7.64	3	0	actinoid atom; f-block element atom
rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re.	9.28	17	0	manganese group element atom
rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.	8.94	146	0	cobalt group element atom
ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.	9.24	173	0	iron group element atom; platinum group metal atom
samarium Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors.	2.78	3	0	f-block element atom; lanthanoid atom
scandium Scandium: An element of the rare earth family of metals. It has the atomic symbol Sc, atomic number 21, and atomic weight 45.	3.32	6	0	d-block element atom; rare earth metal atom; scandium group element atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	13.07	353	2	copper group element atom; elemental silver	Escherichia coli metabolite
tantalum Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices.	8.84	11	0	vanadium group element atom
technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years.	3.11	5	0	manganese group element atom
terbium Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92.	3.56	8	0	f-block element atom; lanthanoid atom
thorium Thorium: A radioactive element of the actinide series of metals. It has an atomic symbol Th, atomic number 90, and atomic weight 232.04. It is used as fuel in nuclear reactors to produce fissionable uranium isotopes. Because of its radioopacity, various thorium compounds are used to facilitate visualization in roentgenography.	2.13	1	0	actinoid atom; f-block element atom
thulium Thulium: An element of the rare earth family of metals. It has the atomic symbol Tm, atomic number 69, and atomic weight 168.93.	4.97	2	1	f-block element atom; lanthanoid atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	15.65	462	7	titanium group element atom
tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus.	11.65	38	0	chromium group element atom	micronutrient
actinium Actinium: A trivalent radioactive element and the prototypical member of the actinide family. It has the atomic symbol Ac, and atomic number 89. Its principal isotope is 227 and it decays primarily by beta-emission.	2.48	2	0	actinoid atom; f-block element atom; scandium group element atom
americium Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy.	2.89	4	0	actinoid atom; f-block element atom
argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.	6.85	85	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	9.37	101	1	cadmium molecular entity; zinc group element atom
cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications.	6.26	43	0	f-block element atom; lanthanoid atom
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	7.81	86	0	chromium group element atom; metal allergen	micronutrient
erbium Erbium: Erbium. An element of the rare earth family of metals. It has the atomic symbol Er, atomic number 68, and atomic weight 167.26.	3.57	8	0	f-block element atom; lanthanoid atom
europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy.	12.47	21	1	f-block element atom; lanthanoid atom
gadolinium Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors.	6.15	23	0	f-block element atom; lanthanoid atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	17.59	987	3	copper group element atom; elemental gold
hafnium Hafnium: A metal element of atomic number 72 and atomic weight 178.49, symbol Hf.	3	4	0	titanium group element atom
helium Helium: A noble gas with the atomic symbol He, atomic number 2, and atomic weight 4.003. It is a colorless, odorless, tasteless gas that is not combustible and does not support combustion. It was first detected in the sun and is now obtained from natural gas. Medically it is used as a diluent for other gases, being especially useful with oxygen in the treatment of certain cases of respiratory obstruction, and as a vehicle for general anesthetics.	5.4	60	0	monoatomic helium; noble gas atom; s-block element atom	food packaging gas
holmium Holmium: An element of the rare earth family of metals. It has the atomic symbol Ho, atomic number 67, and atomic weight 164.93.	2.06	1	0	f-block element atom; lanthanoid atom
uranium Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors.	7.22	28	1	actinoid atom; f-block element atom; monoatomic uranium
vanadium Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs.	4	13	0	elemental vanadium; vanadium group element atom	micronutrient
xenon Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic.	5.08	14	0	monoatomic xenon; noble gas atom; p-block element atom
ytterbium Ytterbium: An element of the rare earth family of metals. It has the atomic symbol Yb, atomic number 70, and atomic weight 173. Ytterbium has been used in lasers and as a portable x-ray source.	2.94	4	0	f-block element atom; lanthanoid atom
yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers.	3.91	12	0	d-block element atom; rare earth metal atom; scandium group element atom
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	13.61	69	1	titanium group element atom
californium Californium: A man-made radioactive actinide with atomic symbol Cf, atomic number 98, and atomic weight 251. Its valence can be +2 or +3. Californium has medical use as a radiation source for radiotherapy.	1.94	1	0	actinoid atom; f-block element atom
lead sulfate lead sulfate: RN given refers to cpd with MF of Pb-SO4	2.02	1	0
aluminum chloride Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS.	7.86	3	0	aluminium coordination entity	Lewis acid
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.	2.71	3	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
magnesium sulfate Magnesium Sulfate: A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083). magnesium sulfate : A magnesium salt having sulfate as the counterion.	2.5	2	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.	2.54	2	0	mercury coordination entity	sensitiser
acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre.	3.08	5	0	N-acetyl-D-glucosamine	epitope
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	2.94	4	0	D-galactosamine; primary amino compound	toxin
titanium tetrachloride titanium tetrachloride: RN given refers to TiCl4	2.43	2	0
perchloric acid [no description available]	2.17	1	0	chlorine oxoacid
octamethylenediamine octamethylenediamine: RN given refers to parent cpd. 1,8-diaminooctane : An alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups.	2.46	2	0	alkane-alpha,omega-diamine
sodium nitrate sodium nitrate : The inorganic nitrate salt of sodium.	3.22	5	0	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
stannic chloride [no description available]	2.77	3	0
palladium chloride palladium chloride: RN given refers to parent cpd; structure. palladium(II) chloride : A palladium coordination entity consisting of palladium(II) bound to two chlorine atoms.	2.47	2	0	palladium coordination entity	catalyst
cesium chloride cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions.	2.04	1	0	inorganic caesium salt; inorganic chloride	phase-transfer catalyst; vasoconstrictor agent
hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.	3.73	10	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
iodic acid iodic acid: RN given refers to parent cpd	2.06	1	0	iodine oxoacid	astringent
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	3.96	12	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents	5.2	14	0	iron coordination entity	astringent; Lewis acid
nickel chloride nickel chloride: RN given refers to cpd with MF of Ni-Cl2. nickel dichloride : A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2.	2.46	2	0	nickel coordination entity	calcium channel blocker; hapten
thionyl chloride thionyl chloride: methylating agent; structure given in first source. thionyl chloride : A sulfinyl halide in which both of the halide atoms are chorines.	2.13	1	0	chlorine molecular entity; sulfinyl halide
ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.	2.48	2	0	iron molecular entity; metal sulfate	reducing agent
sodium pyrophosphate sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure. sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt.	2.11	1	0	inorganic sodium salt	chelator; food emulsifier; food thickening agent
phosphine phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane.	7.39	37	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.	4.33	20	0	diatomic bromine
potassium persulfate [no description available]	2.1	1	0
barium sulfate Barium Sulfate: A compound used as an x-ray contrast medium that occurs in nature as the mineral barite. It is also used in various manufacturing applications and mixed into heavy concrete to serve as a radiation shield.. barium sulfate : A metal sulfate with formula BaO4S. Virtually insoluble in water at room temperature, it is mostly used as a component in oil well drilling fluid it occurs naturally as the mineral barite.	8.19	5	0	barium salt; inorganic barium salt; metal sulfate	radioopaque medium
s-methylcysteine S-methylcysteine: RN given refers to parent cpd without isomeric designation. S-methylcysteine : A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.	2.45	2	0	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite
potassium nitrate potassium nitrate: RN given refers to cpd with MF of K-HNO3; when combined with charcoal and sulfur it can form EXPLOSIVE AGENTS. potassium nitrate : The inorganic nitrate salt of potassium.	2.72	3	0	inorganic nitrate salt; potassium salt	fertilizer
sodium sulfate [no description available]	5.52	4	1	inorganic sodium salt
sodium sulfite [no description available]	1.96	1	0	inorganic sodium salt; sulfite salt	food preservative; reducing agent
calcium phosphate, dibasic, anhydrous calcium phosphate, dibasic, anhydrous: molecular formula CaHPO(4), DCPA=dicalcium phosphate anhydrous; don't confuse with dichloropropionanilide which also is called DCPA; MW=136.06; has greater surface area and lower pH than DCPD (dicalcium phosphate dihydrate); occurs in nature as monetite; an intermediate in preparing hydroxyapatite	2.73	3	0	calcium phosphate
calcium phosphate, monobasic, anhydrous calcium phosphate, monobasic: MW 234.05	2.44	2	0	calcium phosphate	fertilizer
tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.	8.52	33	1	calcium phosphate
ferrous chloride ferrous chloride: induces convulsions; RN given refers to parent cpd	8.03	4	0	iron coordination entity
chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid.	3.32	5	0	chromium oxoanion; divalent inorganic anion	oxidising agent
copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion.	4.56	5	1	metal sulfate	emetic; fertilizer; sensitiser
tungstate [no description available]	8.14	5	0	divalent inorganic anion; tungsten oxoanion
silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.	3.02	4	0	inorganic nitrate salt; silver salt	astringent
sodium thiosulfate sodium thiosulfate: do not confuse synonym sodium hyposulfite with sodium hyposulfite, synonym for di-Na salt of dithionous acid. sodium thiosulfate : An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio.	2.17	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
calcium sulfate Calcium Sulfate: A calcium salt that is used for a variety of purposes including: building materials, as a desiccant, in dentistry as an impression material, cast, or die, and in medicine for immobilizing casts and as a tablet excipient. It exists in various forms and states of hydration. Plaster of Paris is a mixture of powdered and heat-treated gypsum.	9.37	18	0	calcium salt; inorganic calcium salt
calcium hypochlorite calcium hypochlorite: structure	2.76	2	0	calcium salt; inorganic calcium salt	bleaching agent
potassium sulfate potassium sulfate: RN given refers to cpd with MF of K2-H2SO4	2.1	1	0	inorganic potassium salt; potassium salt
zinc phosphate zinc phosphate: RN given refers to unspecified Zn salt; see also record for ZINC PHOSPHATE CEMENT RN 7779-90-0; hopeite was non-print entry term to ZINC PHOSPHATE CEMENT 1982-91	5.05	5	2
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	9.61	113	1	dihydrogen
fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.	7.58	74	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	7.14	84	1	diatomic chlorine; gas molecular entity	bleaching agent
nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)	4.53	21	0	nitrogen oxoacid
mercuric sulfate mercuric sulfate: RN given refers to cpd with MF of HgSO4	2.02	1	0
ferric fluoride [no description available]	2.05	1	0
silver chloride [no description available]	3.77	10	0	inorganic chloride; silver salt
silver iodide silver iodide: RN given refers to silver iodide [1:1]	2.03	1	0
deuterium oxide Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.	3.14	5	0	deuterated compound; water	NMR solvent
fluorosulfonic acid perfluorosulfonic acid: sulfonated tetrafluoroethylene-based fluoropolymer–copolymer	7.55	94	0	sulfur oxoacid	NMR solvent
cupric bromide [no description available]	2.07	1	0
molybdate ion molybdate : A divalent inorganic anion obtained by removal of both protons from molybdic acid	3.83	11	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
chlorosulfonic acid [no description available]	2.8	3	0
thallium chloride thallium chloride: RN given refers to unlabeled parent cpd	1.98	1	0	inorganic chloride; thallium molecular entity
calcium lignosulfonate [no description available]	2.07	1	0
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	6.96	13	2
poloxalene Poloxalene: A copolymer of polyethylene and polypropylene ether glycol. It is a non-ionic polyol surface-active agent used medically as a fecal softener and in cattle for prevention of bloat.. pluronic : A triblock copolymer composed of a central hydrophobic chain of poly(propylene oxide) flanked by two hydrophilic chains of poly(ethylene oxide).	2.06	1	0	epoxide
sizofiran Sizofiran: A beta-D-glucan obtained from the Aphyllophoral fungus Schizophyllum commune. It is used as an immunoadjuvant in the treatment of neoplasms, especially tumors found in the stomach.	2.02	1	0
trichlorosilane [no description available]	2.07	1	0
niobium pentachloride [no description available]	2.08	1	0
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	10.41	161	1	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
ferric sulfate ferric sulfate: RN given refers to Fe(+3)[3:2] salt). iron(3+) sulfate : A compound of iron and sulfate in which the ratio of iron(3+) to sulfate ions is 3:2.	7.94	3	0	iron molecular entity; metal sulfate	astringent; catalyst; mordant
aluminum sulfate aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.	3.31	6	0	aluminium sulfate
radon Radon: A naturally radioactive element with atomic symbol Rn, and atomic number 86. It is a member of the noble gas family found in soil, and is released during the decay of RADIUM.. radon(0) : A monoatomic radon that has an oxidation state of zero.	9.13	15	0	monoatomic radon; noble gas atom; p-block element atom
calcium sulfate dihydrate phosphogypsum: used as fertilizer and in construction materials such as bricks, plaster etc; contains 11 components; found as industrial waste	3.36	6	0	calcium salt; hydrate
sodium selenite disodium selenite : An inorganic sodium salt composed of sodium and selenite ions in a 2:1 ratio.	2	1	0	inorganic sodium salt; selenite salt	nutraceutical
tellurous acid tellurous acid: tellurite anion inhibits oxidation of NAD-linked substrates in kidney & liver mitochondria; RN given refers to parent cpd	2.21	1	0	tellurium oxoacid
cadmium chloride Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.	1.97	1	0	cadmium coordination entity
octyltrimethylammonium octyltrimethylammonium: RN given refers to parent cpd. octyltrimethylammonium ion : A quarternary ammonium cation having one octyl and three methyl substituents around the central nitrogen.	2.31	1	0	quaternary ammonium ion
cadmium sulfate cadmium sulfate: RN given refers to cpd with MF of Cd-H2SO4	2.51	2	0	cadmium salt
calcium nitrate calcium nitrate: an amylopsin activator. calcium nitrate : Inorganic nitrate salt of calcium.	4.58	5	1	calcium salt; inorganic nitrate salt	fertilizer
cobalt sulfate cobalt sulfate: RN given refers to parent cpd. cobalt(2+) sulfate : A compound of cobalt and sulfate in which the ratio of cobalt (+2 oxidation state) to sulfate is 1:1.	2.08	1	0	metal sulfate
calcium chlorate [no description available]	2.02	1	0
4-chloro-7-nitrobenzofurazan 4-Chloro-7-nitrobenzofurazan: A benzofuran derivative used as a protein reagent since the terminal N-NBD-protein conjugate possesses interesting fluorescence and spectral properties. It has also been used as a covalent inhibitor of both beef heart mitochondrial ATPase and bacterial ATPase.. 4-chloro-7-nitrobenzofurazan : A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.	2.37	2	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
n,n-naphthaloylhydroxylamine N,N-naphthaloylhydroxylamine: used for ultrahistochemical detection of Ca	1.97	1	0
magnesium nitrate magnesium nitrate : The inorganic nitrate salt of magnesium.	2.03	1	0	inorganic nitrate salt; magnesium salt	fertilizer
trolamine salicylate Arthritis: Acute or chronic inflammation of JOINTS.	2.37	2	0
stanozolol Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194). stanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes.	2.05	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
rhamnose [no description available]	5.71	6	1	L-rhamnose
chloramine [no description available]	3	4	0	halide
carbendazim carbendazim: carcinogen when combined with sodium nitrite; principle metabolite of thiophanate methyl & benomyl; structure. carbendazim : A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables.	3.41	6	0	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
chrysotile Asbestos, Serpentine: A type of asbestos that occurs in nature as the dihydrate of magnesium silicate. It exists in two forms: antigorite, a plated variety, and chrysotile, a fibrous variety. The latter makes up 95% of all asbestos products. (From Merck Index, 11th ed, p.893)	4.73	9	0
ammonium bromide ammonium bromide : An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio.	2.02	1	0	ammonium salt; bromide salt	NMR chemical shift reference compound
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	3.69	10	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
ethionine L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre.	1.94	1	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
cysteic acid Cysteic Acid: Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.. cysteic acid : An amino sulfonic acid that is the sulfonic acid analogue of cysteine.	2.91	4	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
nickel nitrate nickel nitrate: RN given refers to cpd with MF of Ni-(HNO3)2	2.03	1	0
procion blue mx-r procion blue MX-R: used in affinity labeling of enzymes; RN given refers to parent cpd	2.72	3	0
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	12.26	278	1	titanium oxides	food colouring
sodium tungstate(vi) sodium tungstate(VI): inactivates molybdoenzymes in Anabaena; RN given refers to tungstic acid [H2WO4], di-Na salt. sodium tungstate : An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones.	2.07	1	0	inorganic sodium salt	reagent
sodium aluminum hydride [no description available]	2.05	1	0	inorganic sodium salt
salen disalicylaldehyde ethylenediamine: reagents for determination of iron	2.07	1	0
tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.	3.67	9	0
dibenzo-18-crown-6 dibenzo-18-crown-6: structure. dibenzo-18-crown-6 : A crown ether that is 18-crown-6 ortho-fused to two benzene rings at positions 8-9 and 17-18.	2.13	1	0	benzenes; crown ether	phase-transfer catalyst
levamisole Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). levamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine.	2.41	1	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
thiamphenicol [no description available]	2.78	3	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
cephalexin Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.. cephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.	3	4	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
1-methyladenosine [no description available]	1.94	1	0	methyladenosine	human metabolite
methyltin [no description available]	2.06	1	0
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	2.71	3	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
ethephon (2-chloroethyl)phosphonic acid: structure in first source. (2-chloroethyl)phosphonic acid : A phosphonic acid compound having a 2-chloroethyl substituent attached to the P-atom.	7.41	1	0	phosphonic acids	plant growth regulator
nickel sulfide nickel sulfide: RN given refers to cpd with MF of Ni-S; see also nickel subsulfide: 12035-72-2	2.11	1	0
fluoroboric acid [no description available]	2.53	2	0	boron fluoride
gold tetrachloride, acid gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1)	3.17	5	0
hexachloroiridic acid hexachloroiridic acid: inhibitor of DNA synthesis; K2IrCl6 as oxidizing agent; RN given refers to parent cpd	2.04	1	0
fluorides [no description available]	5.03	40	0	halide anion; monoatomic fluorine
18-crown-6 18-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms.	2.75	3	0	crown ether; saturated organic heteromonocyclic parent	phase-transfer catalyst
stilbene oxide stilbene oxide: inducer of epoxide hydratase; RN given refers to cpd without isomeric designation	2.02	1	0	epoxide
clonixin Clonixin: Anti-inflammatory analgesic.. clonixin : A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks.	2.05	1	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
benomyl [no description available]	2.11	1	0	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
reactive red 2 reactive red 2: inhibitor of ecto-nucleotidase and P(2y)-selective purinoceptor antagonist; structure in first source. procion red MX-5B : A 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-1-ylamino substituent at the 6-position.	3.13	5	0
stannic oxide tin dioxide : A tin oxide compound consisting of tin(IV) covalently bound to two oxygen atoms.	4.85	31	0	tin oxide
cresyl violet cresyl violet: RN given refers to chloride. cresyl violet : A cationic heterotetracyclic fluorescent dye derived from benzo[a]phenoxazine.	2.11	1	0
chromium chromium hexavalent ion: a human respiratory carcinogen	6.02	29	0	chromium cation; monoatomic hexacation
molybdenum dioxide [no description available]	2.02	1	0
geosmin geosmin: earthy smelling cpd from sediment in Lake Biwa; structure. (-)-geosmin : The (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration.	2.11	1	0	geosmin
calcium dobesilate Calcium Dobesilate: A drug used to reduce hemorrhage in diabetic retinopathy.	2.45	2	0
iodine [no description available]	9.76	31	0	halide anion; monoatomic iodine	human metabolite
osmium tetroxide Osmium Tetroxide: (T-4)-Osmium oxide (OsO4). A highly toxic and volatile oxide of osmium used in industry as an oxidizing agent. It is also used as a histological fixative and stain and as a synovectomy agent in arthritic joints. Its vapor can cause eye, skin, and lung damage.. osmium tetroxide : An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds.	7.46	2	0	osmium coordination entity	fixative; histological dye; oxidising agent; poison
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	3.66	9	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
aluminum phosphide [no description available]	2.41	1	0
metribuzin metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3.	2.54	2	0	1,2,4-triazines; cyclic ketone; organic sulfide	agrochemical; environmental contaminant; herbicide; xenobiotic
cyanazine cyanazine: structure. cyanazine : A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively.	2.01	1	0	1,3,5-triazinylamino nitrile; chloro-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
phosphotyrosine Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.. O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.	2.58	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
bromocriptine Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.	2.31	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
indium phosphide indium phosphide: molecular formula - InP	2.46	2	0
fenitrothion Fenitrothion: An organothiophosphate cholinesterase inhibitor that is used as an insecticide.. fenitrothion : An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a methyl group at position 3 and a nitro group at position 4.	2.41	1	0	C-nitro compound; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	14.75	602	6	benzenes; phenyl acetates
4-aminoacetanilide [no description available]	2.6	1	0
cetylpyridinium chloride anhydrous tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent. cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat.	6.1	15	0	chloride salt; organic chloride salt	antiseptic drug; surfactant
4-chlorophenyl methyl sulfide 4-chlorophenyl methyl sulfide: structure given in first source	2.6	1	0
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.	2.07	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
2,5-dimethylpyrazine [no description available]	2.02	1	0	pyrazines
acetylacetone acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.	2.4	2	0	beta-diketone
pyrrolidine [no description available]	4.12	4	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
butyl acetate butyl acetate: structure. butyl acetate : The acetate ester of butanol.	2.13	1	0	acetate ester	metabolite
1,4-dioxane 1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4.	7.95	4	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
isoamyl acetate isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol.	2.21	1	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
chlorodibromomethane [no description available]	1.96	1	0	organochlorine compound
triamcinolone Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.	1.94	1	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
sulfolane sulfolane : A member of the class of tetrahydrothiophenes that is tetrahydrothiophene in which the sulfur has been oxidised to give the corresponding sulfone. A colourless, high-boiling (285degreeC) liquid that is miscible with both water and hydrocarbons, it is used as an industrial solvent, particularly for the purification of hydrocarbon mixtures by liquid-vapour extraction.	7.79	3	0	sulfone; tetrahydrothiophenes	polar aprotic solvent
tris(2,3-dibromopropyl)phosphate tris(2,3-dibromopropyl)phosphate: flame retardant	2.34	2	0	trialkyl phosphate
dimedone dimedone: RN given refers to parent cpd; structure	2.17	1	0
chloroprene Chloroprene: Toxic, possibly carcinogenic, monomer of neoprene, a synthetic rubber; causes damage to skin, lungs, CNS, kidneys, liver, blood cells and fetuses. Synonym: 2-chlorobutadiene.	2	1	0	chloroolefin
tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen.	10.7	26	0	chlorocarbon; chloroethenes	nephrotoxic agent
dimethylacetamide hallucinogen : Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking.. N,N-dimethylacetamide : A member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism.	2.02	1	0	acetamides; monocarboxylic acid amide	human metabolite
ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	3.64	1	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.	5.16	43	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
isothiuronium Isothiuronium: An undecenyl THIOUREA which may have topical anti-inflammatory activity.	2.03	1	0
pirimicarb pirimicarb: structure. pirimicarb : An aminopyrimidine that is N,N,4,5-tetramethylpyrimidin-2-amine substituted by a (dimethylcarbamoyl)oxy group at position 4.	2.08	1	0	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
butachlor butachlor : An aromatic amide that is 2-choro-N-(2,6-diethylphenyl)acetamide in which the amide nitrogen has been replaced by a butoxymethyl group.	7.02	1	0	aromatic amide; organochlorine compound; tertiary carboxamide	environmental contaminant; herbicide; xenobiotic
4-methoxyamphetamine 4-methoxyamphetamine: para-methoxy derivative to amphetamine with hallucinogenic properties; minor descriptor (75-86); on line & INDEX MEDICUS search AMPHETAMINES (75-86); RN given refers to parent compound without isomeric designation	2.1	1	0
dihydroxyethyldithiocarbamate dihydroxyethyldithiocarbamate: mobilizes metallothionein-bound cadmium from tissue; increases biliary excretion of cadmium in rats	2	1	0
triazophos triazophos: structure	2.07	1	0	organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	5.57	12	0
aluminum oxide hydroxide aluminum oxide hydroxide: RN given refers to Al2O3.xH2O	2.06	1	0	aluminium hydroxides; aluminium oxides
3-butenoic acid but-3-enoic acid : That isomer of butenoic acid having the double bond at position C-3.	2.03	1	0	butenoic acid
alkenes [no description available]	10.06	222	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	10.04	37	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
azoxymethane Azoxymethane: A potent carcinogen and neurotoxic compound. It is particularly effective in inducing colon carcinomas.	2.65	3	0
cefazolin Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.. cefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.	2.81	3	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
allura red ac dye Allura Red AC Dye: new monoazo dye proposed as color additive in various food products; RN given refers to di-Na salt; structure	3.18	4	0
poly-n,n-dimethyl-n,n-diallylammonium chloride diallyldimethylammonium chloride: structure in first source	2.98	4	0
torpedo Torpedo: A genus of the Torpedinidae family consisting of several species. Members of this family have powerful electric organs and are commonly called electric rays.	2.38	2	0
sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).	8.17	5	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.	5.17	45	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
adenosine diphosphate ribose Adenosine Diphosphate Ribose: An ester formed between the aldehydic carbon of RIBOSE and the terminal phosphate of ADENOSINE DIPHOSPHATE. It is produced by the hydrolysis of nicotinamide-adenine dinucleotide (NAD) by a variety of enzymes, some of which transfer an ADP-ribosyl group to target proteins.	1.98	1	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	3.91	11	0	penicillin allergen; penicillin	antibacterial drug
2-bromoethanesulfonic acid 2-bromoethanesulfonic acid: RN given refers to parent cpd; a methanogenic inhibitor	4.88	34	0
tramadol Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating.. tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia.. (R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.	3.11	4	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
norflurazone norflurazone: structure. norflurazon : A pyridazinone that is pyridazin-3(2H)-one which is substituted at positions 2, 4, and 5 by m-(trifluoromethyl)phenyl, chloro, and methylamino groups, respectively. A pre-emergence herbicide used to control grasses and broad-leafed weeds in a variety of crops. Not approved for use within the European Union.	2.07	1	0	(trifluoromethyl)benzenes; organochlorine compound; pyridazinone; secondary amino compound	agrochemical; carotenoid biosynthesis inhibitor; herbicide
benthiocarb Saturn: The sixth planet in order from the sun. It is one of the five outer planets of the solar system. Its twelve natural satellites include Phoebe and Titan.	7.75	89	0	monochlorobenzenes; monothiocarbamic ester
nigericin Nigericin: A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus. (From Merck Index, 11th ed). nigericin : A polyether antibiotic which affects ion transport and ATPase activity in mitochondria. It is produced by Streptomyces hygroscopicus.	1.99	1	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
enterobactin [no description available]	2.6	1	0	catechols; crown compound; macrotriolide; polyphenol	bacterial metabolite; siderophore
1-(9-fluorenyl)methyl chloroformate 1-(9-fluorenyl)methyl chloroformate: used for tagging silica-based derivatization reagents in HPLC	2.58	2	0
dinitramine dinitramine: structure	2.42	2	0	C-nitro compound
pirimiphos methyl pirimiphos methyl: structure. pirimiphos-methyl : An organic thiophosphate that is O,O-dimethyl O-pyrimidin-4-yl phosphorothioate substituted by a methyl group at position 6 and a diethylamino group at position 2.	2.49	2	0	aminopyrimidine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide
1,2,3,4-tetrachlorodibenzofuran 1,2,3,4-tetrachlorodibenzofuran: structure in first source	2.02	1	0
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.43	2	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
1,2,3,4-tetrachlorodibenzodioxin 1,2,3,4-tetrachlorodibenzodioxin: structure given in first source	2.02	1	0	polychlorinated dibenzodioxine
pcb 118 [no description available]	2.08	1	0	dichlorobenzene; pentachlorobiphenyl; trichlorobenzene
3,4,3',4'-tetrachlorobiphenyl 3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.	2.46	2	0	dichlorobenzene; tetrachlorobiphenyl
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	8.47	31	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
15-crown-5 15-crown-5 : A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether.	7.06	1	0	crown ether; saturated organic heteromonocyclic parent
2,3,5,6-tetrachlorobiphenyl 2,3,5,6-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which one of the phenyl groups is substituted by chlorines at positions 2, 3, 5, and 6.	2	1	0	tetrachlorobenzene; tetrachlorobiphenyl
etoposide [no description available]	3.31	6	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
isoproturon isoproturon : A member of the class of phenylureas that is 1,1-dimethylurea substituted by a p-cumenyl group at position 3. A selective, systemic herbicide used to control annual grasses and broadleaf weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties.	2.04	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea	agrochemical; environmental contaminant; herbicide; xenobiotic
enilconazole enilconazole: RN given refers to parent cpd. enilconazole : A racemate comprising equimolar amounts of (R)- and (S)-enilconazole. A fungicide used to control a wide range of fungi including Tilletia and Helminthosporium spp. on fruit, vegetables and ornamentals. In veterinary medicine, it is used topically for the treatment of fungal skin infections in cattle, dogs, and horses; it is also used by inhalation for the treatment of aspergillosis in ostriches.. 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a 2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl group.	2.17	1	0	dichlorobenzene; ether; imidazoles
2,5,2',5'-tetrachlorobiphenyl 2,2',5,5'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at the 2 and 5 position of each benzene ring are replaced by chlorines.	2.1	1	0	dichlorobenzene; tetrachlorobiphenyl
ribavirin Rebetron: Rebetron is tradename	2.43	2	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
rhodamine wt [no description available]	2.11	1	0
lentinan [no description available]	2.85	3	0
amikacin Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.. amikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.	4.9	1	1	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
thiocholine Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.	2.76	3	0
profenofos [no description available]	2.6	1	0	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.	2.88	4	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
flunixin meglumine flunixin meglumine : An organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs.	2.05	1	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
n-acetyl-4-benzoquinoneimine N-acetyl-4-benzoquinoneimine: reactive arylating intermediate from acetaminophen & N-hydroxyacetaminophen; structure given in first source	2.06	1	0	ketoimine; quinone imine
vx VX nerve agent : A organic thiophosphate that is the ethyl ester of S-{2-[di(propan-2-yl)amino]ethyl} O hydrogen methylphosphonothioate. A toxic nerve agent used in chemical warfare.	2.44	2	0	organic thiophosphate; tertiary amino compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.46	2	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
deoxynivalenol deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.	2.31	1	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure	2.55	2	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.49	2	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
3,3',5,5'-tetramethylbenzidine T1023: radioprotective NO-Synthase Inhibitor	3.91	11	0
epirubicin Epirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.	2.79	3	0	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
metalaxyl metalaxyl: RN given refers to (DL-Ala)-isomer. metalaxyl : A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops.. methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate : An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group.	2.17	1	0	alanine derivative; aromatic amide; carboxamide; ether; methyl ester
idarubicin Idarubicin: An orally administered anthracycline antineoplastic. The compound has shown activity against BREAST NEOPLASMS; LYMPHOMA; and LEUKEMIA.	2.41	1	0	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative
fluridone [no description available]	2.07	1	0	phenylpyridine	carotenoid biosynthesis inhibitor
nitroacetic acid nitroacetic acid: inhibits succinate dehydrogenase; RN given refers to parent cpd	2.44	2	0
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	2.5	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
arsenobetaine [no description available]	2.02	1	0	organic salt
chlorsulfuron chlorsulfuron: RN given refers to parent cpd; structure given in first source. chlorsulfuron : An N-sulfonylurea that is N-carbamoyl-2-chlorobenzenesulfonamide in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used for the control of broadleaf weeds in wheat, barley and oats.	2.05	1	0	methoxy-1,3,5-triazine; monochlorobenzenes; N-sulfonylurea	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
tiotidine tiotidine: UD gives slightly different structure for this cpd; RN given refers to parent cpd; structure in first source	1.99	1	0	thiazoles
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid fluroxypyr : An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2.	2.05	1	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
cefaclor anhydrous Cefaclor: Semisynthetic, broad-spectrum antibiotic derivative of CEPHALEXIN.. cefaclor : A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	2.15	1	0	cephalosporin	antibacterial drug; drug allergen
avobenzone [no description available]	7.31	1	0	dihydrochalcones
beclobrate beclobrate: RN given refers to cpd without isomeric designation; structure	2.15	1	0	diarylmethane
fomesafen fomesafen: a protoporphyrinogen oxidase-inhibiting herbicide. fomesafen : An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya.	3.44	2	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
fenoxycarb fenoxycarb: used against mosquitoes (Diptera:Culicidae); structure given in first source. fenoxycarb : A carbamate ester that is the O-ethyl carbamate of 2-(4-phenoxyphenoxy)ethylamine.	3.02	4	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic
dicarboxydine dicarboxydine: structure	2.02	1	0
metsulfuron methyl metsulfuron methyl : A N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group.	2.05	1	0	1,3,5-triazines; benzoate ester; N-sulfonylurea	environmental contaminant; herbicide; xenobiotic
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	4.72	10	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	2.9	3	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
bambuterol bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase. bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.	2.21	1	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.	2.25	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
methyl bensulfuron methyl bensulfuron: RN given refers to parent cpds. bensulfuron-methyl : The methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK.	2.83	3	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
gusperimus gusperimus: synthesized by chemical modification of spergualin; in combination with cyclosporin A prevents diabetes in predisposed NOD mice; structure given in first source; RN given refers to (-)-isomer trihydrochloride	2	1	0	N-acyl-amino acid
ractopamine ractopamine: veterinary growth stimulant. ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.. 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.	4.21	3	1	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
sarafloxacin sarafloxacin: RN & structure given in first source	2.25	1	0	quinolines
esmolol methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate : A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group.. esmolol : A racemate comprising equimolar amounts of (R)- and (S)-esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery. While the S enantiomer possesses all of the heart rate control, both enantiomers contribute to lowering blood pressure.	5.09	1	1	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
clopidogrel Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.. clopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.	2.21	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.	2.17	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	2.11	1	0	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	7.27	16	1	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
temoporfin temoporfin: used as PHOTOCHEMOTHERAPY	3.31	1	0
atorvastatin [no description available]	3.07	4	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine [no description available]	2.6	1	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine hydrochloride Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA.. (S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration.	2.41	1	0	duloxetine hydrochloride	antidepressant
irinotecan [no description available]	2.99	4	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.	2.25	1	0	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ibandronic acid Ibandronic Acid: Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS.	2.31	1	0
adefovir dipivoxil bis(pivaloyloxymethyl)-9-(2-phosphonylmethoxyethyl)adenine: structure given in first source. adefovir pivoxil : An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection.	2.21	1	0	6-aminopurines; carbonate ester; ether; organic phosphonate	antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug
capecitabine Capecitabine: A deoxycytidine derivative and fluorouracil PRODRUG that is used as an ANTINEOPLASTIC ANTIMETABOLITE in the treatment of COLON CANCER; BREAST CANCER and GASTRIC CANCER.. capecitabine : A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers.	2.31	1	0	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	5.91	32	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
trichloroacetamide [no description available]	1.96	1	0
tertiary-amyl methyl ether tertiary-amyl methyl ether: structure given in first source	2.44	2	0
propyltrimethoxysilane [no description available]	2.11	1	0
ferric citrate ferric citrate: RN given refers to Fe(+3)[1:1] salt. iron(III) citrate : An iron chelate resulting from the combination of iron(3+) and citrate(3-).	2.57	2	0	iron chelate	anti-anaemic agent; nutraceutical
triphenylsulfonium ion triphenylsulfonium ion: RN given refers to chloride	2.02	1	0
sodium molybdate(vi) sodium molybdate(VI): RN given refers to molybdic acid, di-Na salt. sodium molybdate (anhydrous) : An inorganic sodium salt having molybdate as the counterion.	2.11	1	0	inorganic sodium salt	poison
terbium chloride terbium chloride: RN given refers to the parent compound	2.1	1	0
nitrogen trioxide [no description available]	2.11	1	0	nitrogen oxide
erionite erionite: erionite was SY to zeolite (NM); use zeolites (NM) to search through 1993; RN given is for cpd with unknown MF	3.27	1	0
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	3.63	7	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
florisil Florisil: hard, porous, granular substance used in vitamin analysis, chromatography, & antibiotic processing	2.01	1	0
bromine chloride bromine chloride: alternative to chlorine for municipal waste disinfection	2.07	1	0
radon [no description available]	2.59	2	0	radon atom
dolomite calcium magnesium carbonate: mineral recommended by lay periodicals as a desirable source of calcium & magnesium, but found to be also a source of potentially toxic heavy metals	3.21	5	0
ruthenium chloride (rucl3) ruthenium chloride: RN given refers to unlabeled cpd	2.44	2	0
dimethylhydrazines Dimethylhydrazines: Hydrazines substituted with two methyl groups in any position.	2.87	4	0
methylallyl trisulfide methylallyl trisulfide: platelet aggregation inhibitor in garlic	2.1	1	0
tantalum oxide tantalum oxide: RN given refers to cpd with unknown MF; used for surgical implants	2.76	3	0
sudan iii sudan III: structure in first source. Sudan III : A bis(azo) compound that is 2-naphthol substituted at position 1 by a 4-{[(2-methylphenyl)diazenyl]phenyl}diazenyl group. A fat-soluble dye predominantly used for demonstrating triglycerides in frozen sections, but which may also stain some protein bound lipids in paraffin sections.	2.11	1	0	azobenzenes; bis(azo) compound; naphthols	carcinogenic agent; fluorochrome; histological dye
acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.	3.44	7	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
glycoluril glycoluril: a compound made of two 2-imidazolidinone fused at the 4 and 5 positions	2.41	2	0	azabicycloalkane; ureas
trifluoromethanesulfonic acid trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines.	3.33	6	0	one-carbon compound; perfluoroalkanesulfonic acid
4-vinylphenol 4-vinylphenol: RN given refers to cpd with locants as specified. 4-hydroxystyrene : A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.	2.5	2	0	phenols	human urinary metabolite; human xenobiotic metabolite
ethyl hydroperoxide [no description available]	2	1	0
isothiocyanic acid [no description available]	3.3	5	0	hydracid; one-carbon compound
ammonium peroxydisulfate ammonium persulfate : An inorganic ammonium salt in which two of the terminal hydroxy groups of peroxydisulfuric acid are deprotonated and associated with ammonium ions as counter-cations.	2.75	3	0
sodium persulfate sodium persulfate: RN given refers to peroxydisulfuric acid, di-Na salt	2.66	2	0
potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid.	3.03	4	0	inorganic phosphate salt; inorganic potassium salt
caloreen caloreen: glucose polymer with average length of five glucose units for dietary energy supplement. dextrin : Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds.	2.94	4	0
venlafaxine hydrochloride Venlafaxine Hydrochloride: A cyclohexanol and phenylethylamine derivative that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT.	2.13	1	0	hydrochloride
trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.	10.05	187	3	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
dexamethasone 21-methanesulfonate dexamethasone 21-methanesulfonate: RN given refers to (11beta,16alpha)-isomer	2.08	1	0
adamantylidene adamantylidene: structure	2.04	1	0
aluminum phosphate aluminum phosphate: gel used as immunologic adjuvent; RN given refers to Al salt	2.05	1	0
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	3.5	8	0	D-glucopyranose	epitope; mouse metabolite
mevastatin mevastatin: antifungal metabolite from Penicillium brevicopactum; potent inhibitory activity to sterol synthesis; structure. mevastatin : A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals.	2	1	0	2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite
lanthanum chloride lanthanum chloride: RN given refers to parent cpd	2.11	1	0
meglumine antimoniate Meglumine Antimoniate: ANTIMONY salt of meglumine that is used in the treatment of LEISHMANIASIS.	2.5	2	0
cyclam cyclam: RN given refers to parent cpd; structure given in first source	2.74	3	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	3.46	7	0	organic bromide salt	colorimetric reagent; dye
thymidine 5'-triphosphate thymidine 5'-triphosphate: RN given refers to parent cpd. dTTP : A thymidine phosphate having a triphosphate group at the 5'-position.	2.01	1	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
betulinic acid [no description available]	2.52	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite
baicalin [no description available]	5.28	3	1	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
oseltamivir Oseltamivir: An acetamido cyclohexene that is a structural homolog of SIALIC ACID and inhibits NEURAMINIDASE.. oseltamivir : A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.	2.11	1	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
allicin [no description available]	2.48	2	0	botanical anti-fungal agent; sulfoxide	antibacterial agent
5-methylcytosine 5-Methylcytosine: A methylated nucleotide base found in eukaryotic DNA. In ANIMALS, the DNA METHYLATION of CYTOSINE to form 5-methylcytosine is found primarily in the palindromic sequence CpG. In PLANTS, the methylated sequence is CpNpGp, where N can be any base.. 5-methylcytosine : A pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position.	2.97	4	0	methylcytosine; pyrimidines	human metabolite
thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS.	4.53	22	0
diacetylfluorescein [no description available]	2.45	2	0
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	4.96	2	1	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
fluorexon fluorexon: structure	2.48	2	0	xanthene dye	fluorochrome
xanthotoxol 8-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 8.	2.05	1	0	8-hydroxyfurocoumarin
phenylalanylphenylalanine phenylalanylphenylalanine: RN given refers to (L,L)-isomer	2.48	2	0
chlorin chlorin: RN given refers to parent cpd; structure. chlorin : A tetrapyrrole fundamental parent that is obtained by formal hydrogenation across the 2,3-double bond of porphyrin.	2.11	1	0
phosphoramidic acid phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds	2.07	1	0	phosphoric acid derivative
aica ribonucleotide AICA ribonucleotide: purine precursor that has antineoplastic activity. AICA ribonucleotide : A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative.	2.02	1	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
1,2-dipalmitoylphosphatidylglycerol dipalmitoyl phosphatidylglycerol : A phosphatidylglycerol in which the phosphatidyl acyl groups are both palmitoyl.	2.25	1	0	phosphatidylglycerol
kasugamycin kasugamycin: experimental antimicrobial agent from Streptomyces kausugaensis; used in pseudomonas infections; interfers with protein synthesis in susceptible Escherichia coli. kasugamycin : An amino cyclitol glycoside that is isolated from Streptomyces kasugaensis and exhibits antibiotic and fungicidal properties.	2.6	1	0
metaperiodate Periodic Acid: A strong oxidizing agent.	3.47	8	0	iodine oxoacid
lissamine rhodamine b lissamine rhodamine B: RN given refers to parent cpd; Lissamine Rhodamine B refers to Na salt	2.07	1	0
rhodamine 110 rhodamine 110: RN given refers to chloride	2.1	1	0
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose pentagalloylglucose: pentahydroxy gallic acid ester of glucose; a phytogenic antineoplastic agent and antibacterial agent. 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose : A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions.	2.6	1	0	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger
tris(2,2'-bipyridine)ruthenium(II) tris(2,2'-bipyridyl)ruthenium(II): a fluorescent dye; structure in first source	3.17	5	0	ruthenium coordination entity	fluorochrome
aristeromycin aristeromycin: RN given refers to (1R-(1alpha,2alpha,3beta,5alpha)-isomer	2.01	1	0
n,n-bis(trimethylsilyl)-2,2,2-trifluoroacetamide [no description available]	2.21	1	0
pyrrolidine dithiocarbamate pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd. pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine.	2.04	1	0	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	2.97	4	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
trimethylsilyl trifluoromethanesulfonate trimethylsilyl trifluoromethanesulfonate: deprotecting cpd for peptides	2.05	1	0
4-nitrobenzylthioinosine 4-nitrobenzylthioinosine: inhibitor of nucleoside transport; acts on ENT1	2.05	1	0	purine nucleoside
taleranol taleranol: a metabolite of ZEARALENONE which is a non-steroidal estrogenic lactone used as an anabolic compound in animal feed; a stereoisomer of ZERANOL (alpha-zearalanol)	2.13	1	0	macrolide
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	3.35	6	0	cephalosporin	fungal metabolite
phenosafranine phenosafranine: structure. phenosafranine : An organic chloride salt having 3,7-diamino-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria red in smears to contrast with the blue Gram positive organisms.	2.07	1	0	organic chloride salt	fluorochrome; histological dye; photosensitizing agent
pazufloxacin [no description available]	2.07	1	0	quinolines
benzylaniline benzylaniline: major metabolite of antazoline; RN given refers to parent cpd	2.05	1	0
bergenin bergenin: RN refers to (2R-(2alpha,3beta,4alpha,4aalpha,10bbeta))-isomer; structure	2.11	1	0	trihydroxybenzoic acid	metabolite
silver bromide [no description available]	2.46	2	0
boron nitride [no description available]	12.61	43	0	nitride
silicon monoxide silanone: structure in first source	2.08	1	0	silicon oxide
trenbolone acetate Trenbolone Acetate: An anabolic steroid used mainly as an anabolic agent in veterinary practice.	3.45	1	1	steroid ester
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.08	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
hexaconazole 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol : A member of the class of triazoles that is 1-hexyl-1H-1,2,4-triazole in which the hydrogens at position 2 of the hexyl chain are replaced by hydroxy and 2,4-dichlorophenyl groups.. hexaconazole : A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union.	2.1	1	0	dichlorobenzene; tertiary alcohol; triazoles	chelator
perylenediimide perylenediimide: structure in first source. perylenediimide : The 3,4,9,10-tetracarboxylic diimide derivative of perylene.	2.76	3	0	dicarboximide; organic heteropolycyclic compound	fluorochrome
naphthalimides Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.	3.24	5	0
anthraquinone-2,6-disulfonate anthraquinone-2,6-disulfonate: structure in first source. anthraquinone-2,6-disulfonic acid : A member of the class of anthraquinones that is 9,10-anthraquinone substituted at positions 2 and 6 by sulfo groups.	3.45	7	0	anthraquinone; arenesulfonic acid
salicylhydroxamic acid [no description available]	2.06	1	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
divinyl benzene [no description available]	2.95	4	0	styrenes
benzeneboronic acid [no description available]	3.59	8	0	boronic acids
sulfodiphenylamine sulfodiphenylamine: used to make single crystal silver nanowires; structure in first source	2.03	1	0
porphine porphine: structure given in first source	7.03	1	0
2-(n-cyclohexylamino)ethanesulfonic acid 2-(N-cyclohexylamino)ethanesulfonic acid: RN given refers to parent cpd. N-cyclohexyl-2-aminoethanesulfonic acid : An alkanesulfonic acid that is cyclohexanamine in which one of the amino hydrogens is substituted by a 2-sulfoethyl group. It is used as a buffer (pH range of 8.6-10.0) for studying pH-dependent processes in enzymology.	2.11	1	0	alkanesulfonic acid; secondary aliphatic amine	Good's buffer substance
pyrocatechol violet [no description available]	2.48	2	0
9,10-anthraquinone 2-carboxylic acid 9,10-anthraquinone 2-carboxylic acid: structure in first source	2.08	1	0
parabanic acid parabanic acid: structure. parabanic acid : An imidazolidinone that is imidazolidine which is substituted by oxo groups at positions 2, 4 and 5.	2.25	1	0	hydracid; imidazolidinone	human metabolite
3,4,9,10-perylenetetracarboxylic dianhydride [no description available]	2.06	1	0
leucomalachite green [no description available]	2.53	2	0	benzenoid aromatic compound
phenoxazine phenoxazine: RN given refers to 10H-phenoxazine. 10H-phenoxazine : A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6.	7.04	1	0	phenoxazine	ferroptosis inhibitor; radical scavenger
1,7-phenanthroline [no description available]	4.04	14	0	phenanthroline
bicyclo(3.1.0)hexane [no description available]	2	1	0
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	14.72	83	2	1,2,3-triazole
1h-tetrazole tetrazole : An azaarene that is a five-membered ring composed of 4 nitrogen and 1 carbon atom.. 2H-tetrazole : A tetrazole tautomer where the proton is located on the 2 position.	2.8	3	0	one-carbon compound; tetrazole
heptafluorobutyric anhydride heptafluorobutyric anhydride: structure. heptafluorobutyric anhydride : An acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses.	2.01	1	0	acyclic carboxylic anhydride; organofluorine compound	chromatographic reagent
trifluoroacetamide [no description available]	1.96	1	0
formamidine formamidine: RN given refers to parent compound. formamidine : The smallest member of the class of carboxamidines being formic acid with the O and OH groups from the carboxy function replaced by NH and NH2 groups respectively. The parent of the class of formamidines.	2.76	3	0	carboxamidine; formamidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
1,8-diaminonaphthalene 1,8-diaminonaphthalene: structure in first source	2.1	1	0
isocoumarins Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.	2.1	1	0	isocoumarins
hydracrylic acid 3-hydroxypropionic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group.	2.25	1	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
delphinidin Paraffin: A mixture of solid hydrocarbons obtained from petroleum. It has a wide range of uses including as a stiffening agent in ointments, as a lubricant, and as a topical anti-inflammatory. It is also commonly used as an embedding material in histology.. delphinidin chloride : An anthocyanidin chloride that has delphinidin as the cationic counterpart.	4	12	0	anthocyanidin chloride
2,6-dimethoxy-1,4-benzoquinone 2,6-dimethoxy-1,4-benzoquinone: structure given in first source	1.93	1	0
n,n-carbonyldiimidazole [no description available]	2.05	1	0
azure b Azure B: RN given refers to chloride. azure B : An organic chloride salt having 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium as the counterion. It is used in making azure eosin stains for blood smear staining and is an active metabolite of methylene blue.	2.21	1	0
sesamol sesamol: constituent of sesame oil; RN given refers to parent cpd; structure in first source	2.58	2	0	benzodioxoles
bromonitromethane bromonitromethane: structure in first source	2.78	3	0
isobutyramide [no description available]	2.17	1	0	carboximidic acid
4-aminoquinoline [no description available]	2.05	1	0
4-methoxyestradiol 4-methoxyestradiol: RN given refers to (17beta)-isomer. 4-methoxy-17beta-estradiol : A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group.	2	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	2.08	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
aditoprim aditoprim: structure given in first source	2.31	1	0
artemisinin (+)-artemisinin : A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria.	2.77	3	0	organic peroxide; sesquiterpene lactone	antimalarial; plant metabolite
sulfaperine sulfaperine: structure. sulfaperin : A substituted aniline that is sulfanilamide in which on of the hydrogens of the sulfonamide group has been replaced by a 5-methylpyrimidin-2-yl group.	2.21	1	0	pyrimidines; substituted aniline; sulfonamide antibiotic	antibacterial drug
cresolphthalein cresolphthalein: structure	2.47	2	0
leucogentian violet leucogentian violet: metabolite of gentian violet; structure given in first source	2.13	1	0	benzenoid aromatic compound
glycine methyl ester glycine methyl ester: RN given refers to parent cpd. methyl glycinate : A glycinyl ester obtained by the formal condensation of the carboxy group of glycine with methanol.	2.11	1	0	glycinyl ester	metabolite
phenylazide phenylazide: photosensitive hydrophobic non-polar probe; photolabeling agent	2.03	1	0
1,2,3,4-tetrahydroquinoline 1,2,3,4-tetrahydroquinoline: structure in first source. 1,2,3,4-tetrahydroquinoline : A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.	2.08	1	0	quinolines
phenylpropiolic acid phenylpropiolic acid: structure. phenylpropiolic acid : An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.	2.17	1	0	acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes
fructose-6-phosphate fructose-6-phosphate: RN given refers to parent cpd with unspecified isomeric designation. fructose 6-phosphate : A ketohexose monophosphate consisting of fructose having a phosphate group located at the 6-position.	2.07	1	0	D-fructose 6-phosphate
5-iodouracil 5-iodouracil: RN given refers to parent cpd. 5-iodouracil : An organoiodine compound consisting of uracil having an iodo substituent at the 5-position.	1.96	1	0	organoiodine compound	antimetabolite
4-iodoanisole 4-iodoanisole: structure in Negwer, 5th ed, #564	3.35	1	0	methoxybenzenes
3-chloroperbenzoic acid 3-chloroperbenzoic acid: oxidizing agent	2.07	1	0	monochlorobenzenes; peroxy acid
glutarimide [no description available]	2.05	1	0	dicarboximide; piperidones
5-hydroxymethylcytosine 5-(hydroxymethyl)cytosine : A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group.	2.08	1	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
2,5-dihydroxybenzaldehyde 2,5-dihydroxybenzaldehyde: structure in first source. 2,5-dihydroxybenzaldehyde : A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5.	2.05	1	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
bicinchoninic acid [no description available]	2.04	1	0
1,2-benzisoxazole 1,2-benzisoxazole: structure in first source. 1,2-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5.. benzisoxazole : Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton.	2.03	1	0	1,2-benzoxazoles; mancude organic heterobicyclic parent
enrofloxacin Enrofloxacin: A fluoroquinolone antibacterial and antimycoplasma agent that is used in veterinary practice.. enrofloxacin : A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets.	3.11	4	0	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent
nicaraven nicaraven: an antivasospastic substance	2	1	0
dapoxetine [no description available]	4.61	1	1	naphthalenes
tocophersolan tocophersolan: RN given refers to parent cpd	3.01	4	0	tocol
dicolinium iodide dicolin: RN given refers to diiodide; structure	2.04	1	0
voriconazole Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.. voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.	4.61	1	1	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
aceclofenac [no description available]	2.41	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
olaquindox olaquindox: used in prevention of swine dysentary; growth promoting additive in pig feed; structure	3.22	5	0	quinoxaline derivative
icotidine icotidine: structure given in first source; RN given refers to tri-HCl	1.99	1	0	pyrimidone
procion reactive red 4 Procion Reactive Red 4: inhibits phosphotransferase activity of yeast hexokinase; RN given refers to parent cpd	2.02	1	0
hesperetin [no description available]	2.59	2	0	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite
magnolol [no description available]	2.46	2	0	biphenyls
honokiol [no description available]	2.46	2	0	biphenyls
betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.	2.1	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
neamine neamine: fragment of NEOMYCIN B; structure in first source. neamine : 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group.	2.08	1	0	2,6-dideoxy-alpha-D-glucoside; aminoglycoside	antibacterial agent
5-iminodaunorubicin 5-iminodaunorubicin: RN given refers to parent cpd	1.96	1	0
teleocidin b-4 teleocidins: structure; RN given refers to teleocidin	1.97	1	0
cryptand 2.2 cryptand 2.2: a macrocyclic diaza-crown ether; structure given in first source	2.13	1	0
1,10-phenanthroline-5,6-dione 1,10-phenanthroline-5,6-dione: has antineoplastic, intercalating, and trypanocidal activities; structure given in first source	2.06	1	0
neplanocin a neplanocin A: neplanocins are antitumor antibiotics & carbocyclic analogs of purine nucleosides from Ampullarilla regularis A11079; see also neplanocin B, neplanocin C, neplanocin D & neplanocin F; structure in first source; a potent inhibitor of S-adenosylhomocysteine hydrolase	2.05	1	0
serpentine (alkaloid) serpentine (alkaloid): do not confuse with mineral serpentine; RN given refers to (19alpha)-isomer; structure	2.25	1	0	carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion
bes 2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid : A Good's buffer substance, pKa = 7.15 at 20 degreeC.	3.7	8	0	1,1-diunsubstituted alkanesulfonate; amino sulfonic acid; BES
nicosulfuron nicosulfuron: inhibits ACETOLACTATE SYNTHASE; Accent is DuPont brand name. nicosulfuron : A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen.	3.21	5	0	N-sulfonylurea; pyridines; pyrimidines	environmental contaminant; herbicide; xenobiotic
gliclazide 18alpha-glycyrrhetinic acid: a gap junction inhibitor	2.41	1	0
new methylene blue [no description available]	2.21	1	0
tetracyanoquinodimethane tetracyanoquinodimethane: structure. tetracyanoquinodimethane : A quinodimethane that is p-quinodimethane in which the methylidene hydrogens are replaced by cyano groups.	8.45	7	0	alicyclic compound; nitrile; quinodimethane
1,1,1-trifluoro-2,4-pentanedione 1,1,1-trifluoro-2,4-pentanedione: structure in first source	1.97	1	0
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	2.78	3	0	carbamate ester; oxazolidinone	metabolite
ceric oxide ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis.	5.79	26	0	cerium molecular entity; metal oxide
(2.2)paracyclophane (2.2)paracyclophane: structure in first source	2.11	1	0
perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.	4.12	14	0	perfluoroalkanesulfonic acid	antilipemic drug; persistent organic pollutant
pentafluorobenzyl bromide pentafluorobenzyl bromide : A member of the class benzyl bromides that is benzyl bromide in which the hydrogens at positions 2, 3, 4, 5 and 6 of the phenyl ring are replaced by fluoro groups. It is a versatile derivatization agent in chromatography and mass spectrometry.	2.06	1	0	benzyl bromides; fluorobenzenes
triphenylmethylphosphonium triphenylmethylphosphonium: RN given refers to parent cpd	2.25	1	0
n,n'-dibutylurea N,N'-dibutylurea: structure in first source	2.02	1	0
acetylthiocholine iodide acetylthiocholine iodide: structure in first source	2.08	1	0
dicetylphosphate dicetylphosphate: RN given refers to parent cpd. dicetyl hydrogen phosphate : The dihexadecyl ester of phosphoric acid.	3.12	5	0	dialkyl phosphate
azoprocarbazine azoprocarbazine: oxidative metabolite of procarbazine	2.37	2	0
2-cresolphthalexon 2-cresolphthalexon: RN given refers to parent cpd	2.31	1	0
2,2'-bisphenol f 2,2'-bisphenol F: contact allergen; structure given in first source	2.45	2	0	diarylmethane
pyromellitic diimide pyromellitic diimide: RN given refers to parent cpd	7.69	3	0
methylene green methylene green: stain; 4-nitro(methylene blue); RN given refers to chloride. methylene green : An organic chloride salt having 3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium as the counterion. It stains nuclei green and is sometimes used as a counterstain to red or purple primary stains.	2.98	4	0	organic chloride salt	fluorochrome; histological dye
2,4-hexanedione [no description available]	2.03	1	0
tris(4-chlorophenyl)methanol [no description available]	7.6	1	0
hydroxyurea diethyl diallylmalonate: structure in first source	2.48	2	0	fatty acid ester
6-carboxyfluorescein 6-carboxyfluorescein: originally sold as 6-carboxyfluorescein, but commercial product is a mixture of two isomers; correct name is 5(6)-carboxyfluorescein	2.25	1	0	monocarboxylic acid
cobalt phthalocyanine [no description available]	3.97	12	0
bis(phenylsulfonyl)methane bis(phenylsulfonyl)methane: structure in first source	4.55	7	0
1-pyrenebutyrate 1-pyrenebutyrate: fluorescent probe; RN given refers to 1-pyrenebutyrate	3.62	8	0
4-pyridylmethylamine 4-pyridylmethylamine: structure given in first source	2.03	1	0
calconcarboxylic acid [no description available]	2.08	1	0
3-methylthiopropylamine 3-methylthiopropylamine : A derivative of propylamine having a methylmercapto group at the 3-position.	2.01	1	0	organic sulfide; primary amino compound
rosiglitazone [no description available]	2.02	1	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
ethyl 2-butynoate [no description available]	2.72	3	0
methyl mandelate methyl mandelate: RN given for (DL)-isomer; structure in first source	2	1	0	benzenes
methacrylylcholine methacrylylcholine: RN given refers to parent cpd	2.1	1	0
methylthioethanol 2-methylthioethanol : A primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis.	1.94	1	0	aliphatic sulfide; primary alcohol	plant metabolite; xenobiotic metabolite
imidazo(1,2-a)pyridine imidazo(1,2-a)pyridine: structure	2.07	1	0
n-hydroxysuccinimide N-hydroxysuccinimide: structure	3.17	5	0
ethyl 2-cyanoacrylate ethyl 2-cyanoacrylate: RN given refers to monomer	2.06	1	0
2,4-diamino-5-benzylpyrimidine 2,4-diamino-5-benzylpyrimidine: structure given in first source	1.96	1	0
4-methylmorpholine n-oxide N-methylmorpholine N-oxide : A morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.	3.36	6	0	morpholine N-oxide
trimethylsilyl cyanide [no description available]	2.03	1	0
indophenyl acetate [no description available]	1.96	1	0
3,4-dihydroxyphenylethanol 3,4-dihydroxyphenylethanol: serotonin metabolite; structure	2.87	3	0	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite
iridium oxide iridium oxide: RN given refers to Ir-O2	2.78	3	0
ruthenium dioxide ruthenium dioxide: RN given refers to cpd with MF of Ru-O2	3.01	4	0
strontium titanium oxide [no description available]	2.47	2	0
gallium phosphide [no description available]	2.6	1	0
1,5-cod 1,5-cyclooctadiene: used in production of Nylon	2.48	2	0
propagermanium propagermanium: inhibits the calcium inward currents & the potassium outward currents	2.11	1	0	organogermanium compound
lanthanum trifluoride lanthanum trifluoride: sputtered LaF3 film is used as a new MOS-type glucose sensor; RN given refers to cpd LaF3	2.07	1	0
clarithromycin Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.	5.39	3	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3.	4.71	8	0	bromine oxoanion; monovalent inorganic anion
tebuconazole Lynx: A genus in the family FELIDAE comprising felines with long legs, ear tufts, and a short tail.. 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol : A tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively.. tebuconazole : A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops.	2.83	3	0	monochlorobenzenes; tertiary alcohol; triazoles
thifluzamide thifluzamide: a fungicide; structure in first source. thifluzamide : An aromatic amide obtained by formal condensation of the carboxy group of 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid with the amino group of 2,6-dibromo-4-(trifluoromethoxy)aniline. Used to control Rhizoctonia spp. diseases on rice, potatoes, maize, grass and other crops.	7.41	1	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
methanesulfinic acid methanesulfinic acid: structure given in first source; RN given refers to parent cpd. methanesulfinic acid : An organosulfinic acid that is methane in which one of the hydrogens has been replaced by a sulfino group.	2.13	1	0	organosulfinic acid
procion brilliant red m-2bs [no description available]	2.06	1	0
coenzyme a [no description available]	4.3	6	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
loganin [no description available]	2.46	2	0	beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol	anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite
d-glucitol, 6-o-alpha-d-glucopyranosyl-, mixture with 1-o-alpha-d-glucopyranosyl-d-mannitol Palatinit: mixture of 1,6-mannitol glucopyranoside & 1,6-sorbitol glucopyranoside that affects de- and remineralization; non-cariogenic. 1-O-alpha-D-glucopyranosyl-D-mannitol : A 1-O-D-glucopyranosyl-D-mannitol that has alpha configuration at the anomeric centre.	3.75	2	1	(2xi)-6-O-alpha-D-glucopyranosyl-D-arabino-hexitol; 1-O-D-glucopyranosyl-D-mannitol
acetyl methyl tetramethyl tetralin acetyl methyl tetramethyl tetralin: musk fragrance; structure given in first source	2.63	2	0	tetralins
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	6.65	16	1	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
nsc-172755 butocin: S-substituted analog of mercaptopurine which functions as a cytostatic agent; minor descriptor (75-85); on-line search 6-MERCAPTOPURINE/AA (75-84); Index Medicus search MERCAPTOPURINE/analogs (75-84)	2.52	2	0
aluminum nitride [no description available]	2.07	1	0	nitride
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	9.11	15	0	iditol	fungal metabolite
equol Equol: A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines.	2.05	1	0	hydroxyisoflavans
indium arsenide [no description available]	2.25	1	0
cadmium telluride cadmium telluride: used in radiation monitoring device	4.35	18	0
goethite [no description available]	3.8	9	0
homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration.	6	15	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
alpha,beta-methyleneadenosine 5'-triphosphate alpha,beta-methyleneadenosine 5'-triphosphate: do not confuse with beta,gamma-methylene ATP; RN given refers to parent cpd	2.42	2	0	nucleoside triphosphate analogue
pretilachlor [no description available]	7.06	1	0	anilide
pyrimethanil pyrimethanil: structure in first source. pyrimethanil : A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying two additional methyl substituents at positions 4 and 6. A fungicide used to control grey mould on fruit, vegetables and ornamentals as well as leaf scab on pome fruit. Also commonly employed to control Botrytis cinerea throughout the winemaking process in grapes, must, fermenting must and wine.	2.11	1	0	aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic
quinclorac quinclorac: an herbicide. quinclorac : A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid in which the hydrogens at positions 3 and 7 have been replaced by chlorines. It is used (particularly as its dimethylamine salt, known as quinclorac-dimethylammonium) as a (rather persistent) herbicide for the post-emergence control of weeds in rice, grass and turf. It is not approved for use within the European Union.	2.41	1	0	monocarboxylic acid; organochlorine compound; quinolinemonocarboxylic acid	agrochemical; herbicide; synthetic auxin
sk&f 95282 zolantidine: structure given in first source	1.99	1	0	piperidines
chlorfenapyr chlorfenapyr: an experimental pour-on formulation, a new generation pyrethroid available to producers. chlorfenapyr : A member of the class of pyrroles that is 4-bromo-1H-pyrrole-3-carbonitrile which is substituted at positions 1, 2 and 5 by ethoxymethyl, p-chlorophenyl and trifluoromethyl groups, respectively. A proinsecticide used for termite control and crop protection against several insects and mite pests.	2.51	2	0	hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles	proacaricide; proinsecticide
sarsasapogenin [no description available]	2.01	1	0	sapogenin
cycloartenol [no description available]	2.01	1	0	3beta-sterol; pentacyclic triterpenoid; phytosterols	plant metabolite
2-nitropropanol 2-nitropropanol: has antimicrobial activity; a cross-linking reagent	7.03	1	0	C-nitro compound
acid violet 17 violet BNP: structure given in first source	2.05	1	0
3,5-dichloro-1,4-aminophenol 3,5-dichloro-1,4-aminophenol: structure given in first source	2.6	1	0
levobupivacaine Levobupivacaine: S-enantiomer of bupivacaine that is used as a local anesthetic and for regional nerve blocks, including EPIDURAL ANESTHESIA.. levobupivacaine : The (S)-(-)-enantiomer of bupivacaine.	2.06	1	0	1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide	adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic
tris(4-chlorophenyl)methane tris(4-chlorophenyl)methane: structure in first source	7.6	1	0
2,8-dihydroxyadenine 2,8-dihydroxyadenine: xanthine oxidase reacted adenine metabolite in epidermis of hairless mice; component of urinary stores; structure. 2,8-dihydroxyadenine : A member of the class of 6-aminopurines that is adenine bearing two hydroxy substituents at positions 2 and 8. It is a highly insoluble metabolite of adenine that causes radiolucent urolithiasis. It is produced by individuals who suffer from adenine phosphoribosyltransferase (APRT) deficiency, a rare autosomal recessive error of purine metabolism.	2.05	1	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent
3-aminobenzeneboronic acid [no description available]	3.23	5	0
clodinafop-propargyl clodinafop-propargyl: an herbicide. clodinafop-propargyl : A carboxylic ester resulting from the formal condensation of the carboxy group of clodinafop with the hydroxy group of prop-2-yn-1-ol. It is widely used as a herbicide for the control of annual grass weeds in cereal crops.	2.41	1	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
lopinavir [no description available]	5.04	2	1	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
triptycene triptycene: structure in first source	2.48	2	0	anthracenes
annatto annatto: coloring matter from seeds of Bixa orellana L., Bixaceae; contains bixin and pigments that give carotene reactions; induces hyperglycemia	2.08	1	0
firefly luciferin Firefly Luciferin: A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).. Photinus luciferin : A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position.	1.94	1	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate	luciferin
glycidyl nitrate glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids.	3.55	8	0
titanium nitride (tin) titanium nitride: RN given refers to unspecified MF	3.18	5	0
dimyristoylphosphatidic acid dimyristoylphosphatidic acid: RN given refers to parent cpd without isomeric designation; structure given in first source	2.07	1	0	phosphatidic acid
n-(2-chloro-4-pyridyl)-n'-phenylurea forchlorfenuron : A member of the class of phenylureas that is urea substituted by a phenyl group and a 2-chloropyridin-4-yl group at positions 1 and 3 respectively. It is a plant growth regulator widely used in agriculture for improving fruit quality and fruit size.	2.11	1	0	monochloropyridine; phenylureas	plant growth regulator
cloquintocet-mexyl cloquintocet-mexyl: an herbicide safener. cloquintocet-mexyl : A racemate composed of equimolar amounts of (R)- and (S)-cloquintocet-mexyl. It is a colourless crystalline herbicide safener which protects small cereal crops against the toxicity of the herbicide clodinafop-propargyl. The World Health Organization have categorized it as a class III toxin.. heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate : A member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8.	2.41	1	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines
pyrroline pyrroline: RN given refers to cpd with unspecified locant for dihydro moiety. pyrroline : Any organic heteromonocyclic compound with a structure based on a dihydropyrrole.	4.05	4	0	pyrroline
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	4.86	31	0	D-glucuronic acid	algal metabolite
1-phenazinecarboxylic acid 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group.	2.13	1	0	aromatic carboxylic acid; monocarboxylic acid; phenazines	antifungal agent; antimicrobial agent; bacterial metabolite
2,2',4,4'-tetrabromodiphenyl ether [no description available]	2.25	1	0	aromatic ether; organobromine compound
prolamins Prolamins: A group of seed storage proteins restricted to the POACEAE family. They are rich in GLUTAMINE and PROLINE.	2.07	1	0
allenolic acid allenolic acid: structure in first source	2.05	1	0	naphthols
quinoxaline-2-carboxylic acid [no description available]	2.08	1	0
hippuryl-glycyl-glycine hippuryl-glycyl-glycine: RN given refers to parent cpd; N1 from 9th CI Form Index	2.15	1	0
10-hydroxycamptothecin [no description available]	2.78	3	0	pyranoindolizinoquinoline
2-hydroxyterephthalic acid 2-hydroxyterephthalic acid: C8-H6-O5; structure in first source	2.08	1	0
4-(phenylthio)butanoic acid 4-(phenylthio)butanoic acid: structure in first source	2.07	1	0
2-(4-bromo-2,5-dimethoxyphenyl)ethylamine 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine: behaves as a partial agonist toward both alpha1-adrenergic & 5-HT(2) serotonergic receptors. 2,5-dimethoxy-4-bromophenethylamine : A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.	2.21	1	0	2-arylethylamine
tetrathiafulvalene tetrathiafulvalene: used in carbon paste amperometric enzyme electrode for the determination of glucose in flowing systems. tetrathiafulvalene : A member of the class of fulvalenes that is ethene substituted by 1,3-dithiol-2-ylidene groups at positions 1 and 2.	8.55	8	0	fulvalenes; organosulfur heterocyclic compound
combretastatin combretastatin: cytotoxic principle from South African tree COMBRETUM caffrum; structure given in first source; acts at COLCHICINE site of TUBULIN	2.1	1	0
coumarin 6 coumarin 6: structure in first source	2.53	2	0	7-aminocoumarins	fluorochrome
thiophene a thiophene A: RN not in Chemline 4/87; RN from Chem Abstracts Index Guide 1986; structure given in first source	2.1	1	0
arctiin arctiin: from fruits of Arctium lappa L; RN given refers to (3R-trans)-isomer; RN for cpd without isomeric designation not avail 12/92	2.6	1	0	glycoside; lignan
meldola blue [no description available]	3.15	5	0
n-methyladenosine N-methyladenosine: is a inhibitor of cell differentiation. N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.	5.09	1	1	methyladenosine
1,2-distearoylphosphatidylethanolamine 1,2-distearoylphosphatidylethanolamine: RN given refers to cpd without isomeric designation. 1,2-distearoylphosphatidylethanolamine : A phosphatidylethanolamine in which the phosphatidyl acyl group at C-1 and C-2 is stearoyl.	2.47	2	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	9.94	190	1	cobalt group element atom; metal allergen	micronutrient
hydrogen sulfite [no description available]	2.04	1	0	sulfur oxoanion	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
yttrium radioisotopes Yttrium Radioisotopes: Unstable isotopes of yttrium that decay or disintegrate emitting radiation. Y atoms with atomic weights 82-88 and 90-96 are radioactive yttrium isotopes.	2.48	2	0
chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion.	2.76	3	0	chlorine oxoanion; monovalent inorganic anion
arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system	3.49	7	0	oligopeptide
vitamin b 6 Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.	2.46	2	0
1,4-dihydropyridine [no description available]	2.52	2	0
cremophor el cremophor EL: solvent for Althesin & Propanidid implicated as possible cause of similar adverse effects polyethoxylated castor oil; RN given refers to cpd with unknown MF; see also records for cremophor & cremophor A	2.07	1	0
s-nitrosoglutathione [no description available]	2.02	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole 1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole: inhibits platelet aggregation & Ca2+ entry into platelets. SKF-96365 free base : An ether that is 2-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)ethanol in which the hydrogen of the hydroxy group has been substituted by a 3-(4-methoxyphenyl)propyl group.	2.05	1	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
1,n(6)-ethenoadenine 1,N(6)-ethenoadenine: biologically active fluorescent derivatives of this cpd potentially valuable in studies concerning interactions between adenine cpds & various enzymes for which they serve as substrates or co-factors; structure	4.61	1	1	imidazo[2,1-i]purine	mutagen
cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).	4.42	22	0
3,4-methylenedioxyethamphetamine 3,4-methylenedioxyethamphetamine: legal replacement for MDMA; RN given for (+-)-isomer; structure given in first source. 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine : A secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group.	2.6	1	0	benzodioxoles; secondary amino compound
thiamethoxam Thiamethoxam: A nitro-oxazine and thiazole derivative that is used as a broad spectrum neonicotinoid insecticide.. thiamethoxam : An oxadiazane that is tetrahydro-N-nitro-4H-1,3,5-oxadiazin-4-imine bearing (2-chloro-1,3-thiazol-5-yl)methyl and methyl substituents at positions 3 and 5 respectively.	5.5	4	1	1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane	antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic
indoxacarb indoxacarb: oxadiazine insecticide; structure in first source. insecticide : Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.	2.69	2	0	methyl ester; organochlorine insecticide	voltage-gated sodium channel blocker
arginyl-glycyl-aspartyl-serine arginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets	2.05	1	0
beta-hydroxyvaleric acid 3-hydroxypentanoic acid : A short-chain fatty acid that is valeric acid in which one of the methylene hydrogens at position 3 has been replaced by a hydroxy group.	3.01	2	0	3-hydroxy fatty acid; ketone body; short-chain fatty acid
procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.	7.17	30	3	proanthocyanidin
phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.	2.77	3	0	phosphite ion; trivalent inorganic anion
1-hydroxymethylmidazolam 1-hydroxymethylmidazolam: metabolite of midazolam. 1-hydroxymidazolam : An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam.	2.06	1	0	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
dihydrocapsaicin [no description available]	2.6	1	0	capsaicinoid
tesmilifene [no description available]	2.6	1	0	diarylmethane
schizandrin b schizandrin B: a phytogenic antineoplastic agent with anti-inflammatory activity; isolated from Schisandra plant	2.17	1	0
1-hexadecyl-2-acetyl-glycero-3-phosphocholine Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.	2.17	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.	2	1	0
bismuth iodide bismuth iodide: RN given for cpd with unspecified MF	2.07	1	0
reactive orange 14 reactive orange 14: RN not in Chemline 10/87; RN from Chemical Abstracts Index Guide	2.02	1	0
5,6-dihydroxyindole [no description available]	2.21	1	0	dihydroxyindole	mouse metabolite
valerates Valerates: Derivatives of valeric acid, including its salts and esters.	5.27	12	1	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	7.96	3	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
thromboxanes thromboxane : A class of oxygenated oxane derivatives, originally derived from prostaglandin precursors in platelets, that stimulate aggregation of platelets and constriction of blood vessels.	2.1	1	0
zinc coproporphyrin iii coproporphyrin III: RN given refers to unlabeled parent cpd; see also record for coproporphyrin I	2.03	1	0
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine: cyclic methadone metabolite; RN given refers to parent cpd; structure	1.99	1	0
dimethyldioxirane dimethyldioxirane: structure given in first source; powerful oxidizing agent	2.44	2	0
gallium nitride [no description available]	3.33	6	0
marimastat marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary. marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.	2.31	1	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
ruthenium tetraoxide ruthenium tetraoxide: RN given refers to unlabeled cpd with MF of Ru-O4	2.77	3	0
matairesinol matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).	2.08	1	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
aminopentol aminopentol: metabolite of fumonisin B1	2.54	2	0
caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.	5.5	14	1	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
pramipexole Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME.. pramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively.	2.63	2	0	benzothiazoles; diamine	antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger
mosapride 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine.	3.99	1	1	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
6-methoxy-8-(3-diethylaminopropylamino)quinoline 6-methoxy-8-(3-diethylaminopropylamino)quinoline: RN given refers to parent cpd	1.92	1	0	aminoquinoline
n-iodosuccinimide [no description available]	2.13	1	0	dicarboximide; pyrrolidinone
hydroquinidine hydroquinidine: urinary quinine metabolite; RN given refers to (9S)-isomer; structure in Merck Index, 9th ed, #4703	1.96	1	0	cinchona alkaloid
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid: structure given in first source. DOTA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group.	3.16	5	0	azamacrocycle	chelator; copper chelator
protoporphyrinogen [no description available]	2.21	1	0	porphyrinogens	Escherichia coli metabolite; mouse metabolite
flavin semiquinone flavin semiquinone: chromophore found in methanol oxidase	2	1	0
4-aminophenylphosphate 4-aminophenylphosphate: RN refers to di-Ag salt; structure given in first source	2.44	2	0
celastrol [no description available]	2.6	1	0	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite
2-o-rhamnopyranosyl-rhamnopyranosyl-3-hydroxyldecanoyl-3-hydroxydecanoate 2-O-rhamnopyranosyl-rhamnopyranosyl-3-hydroxyldecanoyl-3-hydroxydecanoate: rhamnolipid biosurfactant from Pseudomonas aeruginosa UG2; active in removing hydrophobic cpds from soil; structure in first source	2.04	1	0
imidodiphosphonic acid imidodiphosphonic acid: in combination with technetrium, a superior radiopharmaceutical for myocardial infarct imaging; RN given refers to parent cpd	2.1	1	0
dehydroacetic acid [no description available]	2.6	1	0	ketone; pyran-2,4-dione	antibacterial agent; fungicide; plasticiser
phosphate-binding proteolipid phosphate-binding proteolipid: MW appx 3000; binds inorganic phosphate with high affinity & specificity; from rabbit kidney brush border membranes	2.11	1	0
benzyne benzyne: structure in first source. benzyne : 1,2-didehydrobenzene and its derivatives formed by substitution.	3.01	4	0	aryne; benzyne
carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).	14.51	1,993	0	carbene; methanediyl
cyclopropene cyclopropene: structure. cyclopropene : A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes.	10.21	8	0	cycloalkene; cyclopropenes
phosphoramide phosphoramide: RN given refers to triamide. phosphoramide : A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2).	2.17	1	0
hydronium ion [no description available]	2.98	4	0	onium cation; oxygen hydride
peroxynitrous acid Peroxynitrous Acid: A potent oxidant synthesized by the cell during its normal metabolism. Peroxynitrite is formed from the reaction of two free radicals, NITRIC OXIDE and the superoxide anion (SUPEROXIDES).	6	7	1	nitrogen oxoacid
perchlorate perchlorate: the explosive component of rocket fuel; an environmental contaminant that disrupts THYROID HORMONES. perchlorate : A monovalent inorganic anion obtained by deprotonation of perchloric acid.	3.51	7	0	chlorine oxoanion; monovalent inorganic anion
cyclopropanol [no description available]	2.17	1	0	aliphatic alcohol; cyclopropanes
fullerene c60 Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.	11.98	291	0	fullerene	geroprotector
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	5.41	3	1	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
gefitinib [no description available]	4.61	1	1	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
ribulose-1,5 diphosphate ribulose-1,5 diphosphate: RN given refers to cpd without isomeric designation. D-ribulose 1,5-bisphosphate : A ribulose phosphate that is D-ribulose attached to phosphate groups at positions 1 and 5. It is an intermediate in photosynthesis.	3.05	1	0	ribulose phosphate	Escherichia coli metabolite; plant metabolite
1,n(6)-ethenoadenosine diphosphate 1,N(6)-ethenoadenosine diphosphate: polarized fluorescence reagents	1.98	1	0
c & b metabond Super-bond: an adhesive resin composed of 4-methacryloxyethyltrimellitic anhydride (4-META), methylmethacrylates (MMA) and tri-n-butylborane (TBB)	4.3	4	1
n(6)-carboxymethyllysine N(6)-carboxymethyllysine: RN given refers to (L)-isomer; structure given in first source. N(6)-carboxymethyl-L-lysine : An L-lysine derivative with a carboxymethyl substituent at the N(6)-position.	2.1	1	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	antigen
htr composite HTR composite: biocampatible composite of patented technology combining polymethylmethacrylate & polyhydroxyethyl methacrylate without addition of catalysts, inducers or impurities	2.13	1	0
cyclic adp-ribose Cyclic ADP-Ribose: A pyridine nucleotide that mobilizes CALCIUM. It is synthesized from nicotinamide adenine dinucleotide (NAD) by ADP RIBOSE CYCLASE.	1.98	1	0	cyclic purine nucleotide; nucleotide-sugar	metabolite; ryanodine receptor agonist
3-(trifluoromethyl)-3-(3-iodophenyl)diazirine 3-(trifluoromethyl)-3-(3-iodophenyl)diazirine: photoactivatable probe, carbene-generating reagent	1.97	1	0
peroxyoxalate [no description available]	2.07	1	0
tyrosyl-isoleucyl-glycyl-seryl-arginine tyrosyl-isoleucyl-glycyl-seryl-arginine: a synthetic laminin pentapeptide	2.11	1	0
coenzyme f420 coenzyme gamma-F420-2 : The amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid.	9.98	12	0
desloratadine desloratadine: major metabolite of loratadine. desloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.	2.25	1	0	benzocycloheptapyridine	anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist
1,2-hexanoylphosphatidylcholine 1,2-hexanoylphosphatidylcholine: RN given refers to cpd without isomeric designation	2.05	1	0
3-(4-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenyl)alanine 3-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine: a photoreactive cross-linking reagent; structure given in first source; RN given is for D-phenylalanine	1.96	1	0
2-octynoyl-coenzyme a 2-octynoyl-coenzyme A: RN given in first source	1.99	1	0
ectoine [no description available]	5.56	7	0	1,4,5,6-tetrahydropyrimidines; carboxamidine; monocarboxylic acid; zwitterion	osmolyte
methotrexate [no description available]	4.03	14	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
1-methoxy-5-methylphenazinium methyl sulfate [no description available]	2.07	1	0
pseudomonas aeruginosa autoinducer Pseudomonas aeruginosa autoinducer: autoinducer required for expression of Pseudomonas aeruginosa virulence genes; structure given in first source. N-(3-oxododecanoyl)homoserine lactone : A N-acyl homoserine lactone that is the monocarboxylic acid amide arising from formal condensation of homoserine lactone with 3-oxododecanoic acid.	2.17	1	0	N-acyl homoserine lactone
dihydroethidium dihydroethidium: RN given is for the (+-)-isomer	2.01	1	0
4-(3-trifluoromethyldiazirino)benzoic acid [no description available]	2.25	1	0
2-methacryloyloxyethyl phosphorylcholine [no description available]	2.52	2	0
l 663581 L 663581: structure given in first source; partial agonist at the benzodiazepine receptor	1.99	1	0
ivabradine Ivabradine: A benzazepine derivative and selective HYPERPOLARIZATION-ACTIVATED CYCLIC NUCLEOTIDE-GATED CHANNELS inhibitor that lowers the heart rate. It is used in the treatment of CHRONIC STABLE ANGINA in patients unable to take BETA-ADRENERGIC BLOCKERS, and in the treatment of HEART FAILURE.. ivabradine : A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure.	2.25	1	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug
carbapenems [no description available]	4.9	1	1
calcium borate calcium borate: RN given refers to cpd with MF CaB4O7	4.61	1	1
lanthanum hydroxide lanthanum hydroxide: RN given refers to unspecified lanthanum hydroxide	2.07	1	0
xylose xylopyranose: structure in first source	10.57	22	0	D-xylose
cd 437 CD 437: selective for retinoic acid receptors gamma. CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.	2.02	1	0	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
hexa-peri-hexabenzocoronene hexa-peri-hexabenzocoronene: structure in first source	2.95	4	0
fulvene fulvene: structure. fulvene : An organic cyclic compound that consists of cyclopentadiene bearing a methylene substituent. The parent of the class of fulvenes.	2.48	2	0	fulvenes
quinone methide quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group.	9.32	5	0	quinomethane
duroquinol durohydroquinone : A member of the class of hydroquinones that is benzene-1,4-diol carrying four methyl groups at positions 2, 3, 5 and 6.	2.54	2	0	hydroquinones; methylbenzene	bacterial xenobiotic metabolite; volatile oil component
beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.	5.17	14	0	beta-lactam antibiotic allergen; beta-lactam
cyclic-2,3-diphosphoglycerate cyclic-2,3-diphosphoglycerate: found in methanogens; has role in carbohydrate metabolism	2.38	2	0	bisphosphoglyceric acid
boron difluoride boron difluoride: structure in first source	2.1	1	0
cyclohexadienone cyclohexadienone: structure in first source	2.03	1	0
sperm motility inhibitor 2 [no description available]	2.08	1	0
cyclobutenone cyclobutenone: structure in first source	7.06	1	0
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	9.2	17	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cucurbitaceae Cucurbitaceae: The gourd plant family of the order Violales, subclass Dilleniidae, class Magnoliopsida. It is sometimes placed in its own order, Cucurbitales. 'Melon' generally refers to CUCUMIS; CITRULLUS; or MOMORDICA.	2.78	3	0
escitalopram Escitalopram: S-enantiomer of CITALOPRAM. Belongs to a class of drugs known as SELECTIVE SEROTONIN REUPTAKE INHIBITORS, used to treat depression and generalized anxiety disorder.. escitalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.	2.31	1	0	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile	antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	6.21	9	1	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
altromycin b altromycin B: from an actinomycete; structure given in second source	2.03	1	0
levofloxacin Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.	5.73	5	1	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
molybdenum chloride [no description available]	2.11	1	0
ribulose ribulose: 5-carbon keto sugar; minor descriptor (75-85); on-line & Index Medicus search PENTOSES (75-85); RN given refers to (erythro)-isomer	2.52	2	0	ribulose	Escherichia coli metabolite; human metabolite
dirhodium tetraacetate dirhodium tetraacetate: structure given in first source	2.11	1	0
3-mercapto-2-methylpropionic acid 3-mercapto-2-methylpropionic acid: RN given refers to parent cpd	1.99	1	0
borneo Borneo: An island in the Malay Archipelago, east of Sumatra, north of Java, and west of Celebes. It is the third largest island in the world. Its name is a Portuguese alteration of BRUNEI, located on it. (From Webster's New Geographical Dictionary, 1988, p163; Room, Brewer's Dictionary of Names, 1992, p73)	2.06	1	0	organofluorine acaricide
terephthalate terephthalate(2-) : A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of terephthalic acid.	2.05	1	0	dicarboxylic acid dianion
kolaviron kolaviron: antihepatotoxic fraction of biflavonones from Garcinia kola seeds; phalloidine antagonist. kolaflavanone : A biflavonoid isolated from the seeds of Garcinia kola that has been shown to exhibit hepatoprotective activity.	2.69	2	0	4'-methoxyflavanones; biflavonoid; dihydroflavonols; ring assembly; secondary alpha-hydroxy ketone	hepatoprotective agent; plant metabolite
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	6.74	16	1	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	13.12	72	1	oxygen hydride; oxygen radical; reactive oxygen species
naphthalenediimide naphthalenediimide: structure in first source	2.07	1	0
gallium oxide gallium oxide: RN given refers to unlabeled cpd	3.86	2	0
dialuminum magnesium tetraoxide spinell: mineral that can be colored to match dentin	2.59	2	0
yttria yttria: molecular formula Y2-O3	2.85	3	0
calcium aluminate [no description available]	2.08	1	0
gadolinium oxide gadolinium oxide: RN given refers to cpd with MF of Gd2-O3	2.05	1	0
ilmenite ilmenite: cpd has MF: FeTiO3; RN in Chemline for other FeTiO3: 12022-71-8	2.41	1	0
lead titanate zirconate [no description available]	2.07	1	0
bb3497 BB3497: peptide deformylase inhibitor; structure in first source	2.01	1	0
cerium sulfate [no description available]	2.02	1	0
bismuth orthovanadate bismuth vanadium tetraoxide: ferroelastic	2.25	1	0
titanium phosphate titanium phosphate: RN given refers to unspecified titanium phosphate	2.11	1	0
singlet oxygen Singlet Oxygen: An excited state of molecular oxygen generated photochemically or chemically. Singlet oxygen reacts with a variety of biological molecules such as NUCLEIC ACIDS; PROTEINS; and LIPIDS; causing oxidative damages.	5.45	18	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
peroxymonosulfate peroxymonosulfate: oxidizing agent in prevention of tooth discoloration; RN given refers to ion(2-)	4.51	18	0	sulfur oxide; sulfur oxoanion
sulfoacetaldehyde [no description available]	2.21	1	0	alpha-CH2-containing aldehyde; organosulfonic acid
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	5.13	13	0
carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.	3.89	12	0	carbodiimide
zirconium phosphate zirconium phosphate: reagent for carcinoembryonic antigen determination in plasma from patients having benign or malignant disease; RN given refers to cpd with unspecified ratio	3.86	3	0
zinc hematoporphyrin [no description available]	3.19	5	0
ampelopsin ampelopsin: hepatoprotective agent; isolated from Hovenia dulcis; RN given for (2R-trans)-isomer; structure in first source. (+)-dihydromyricetin : An optically active form of dihydromyricetin having (2R,3R)-configuration.	2.25	1	0	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite
lysyl-tryptophyl-alpha-lysine lysyl-tryptophyl-alpha-lysine: RN & N1 from 9th CI Form Index; RN given refers to (all-L)-isomer; KWK-CO2 is the positively charged oligopeptide	2.13	1	0	oligopeptide
potassium ferrate potassium ferrate: oxidizing agent	3.55	6	0
rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoate rhamnopyranosyl-3-hydroxydecanoyl-3-hydroxydecanoate: rhamnolipid biosurfactant from Pseudomonas aeruginosa UG2; active in removing hydrophobic cpds from soil; structure in first source. L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid : A glycolipid, an alpha-L-rhamnoside of 3-[(3-hydroxydecanoyl)oxy]decanoic acid.	2.04	1	0	alpha-L-rhamnoside; glycolipid	nonionic surfactant
tetracyanonickelate tetracyanonickelate: RN given refers to parent cpd; probes the active site of sulfur-free rhodanese	2.02	1	0
acyloin [no description available]	2.44	2	0
desmethylnaproxen desmethylnaproxen: RN given refers to cpd without isomeric designation. desmethylnaproxen : A member of the class of naphthols that is naproxen in which the 6-methoxy group has been demethylated.	2.17	1	0
petaline petaline: RN given refers to chloride (R)-isomer; a quaternary alkaloid from Leontice leontopetalum	2.17	1	0
calcium pyrophosphate [no description available]	2.44	2	0
tartrazine Tartrazine: An anionic, hydrophilic azo dye with an orange-yellow color used in fabrics, foods and cosmetics, and as a biological stain.. tartrazine : An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring.	3.21	5	0
cupric hydroxide copper hydroxide: used as an antifungal agent	2.72	3	0	organic molecular entity
diplopterol diplopterol: biosyntheside from squalene in a cell-free system for Acetobacter pasteurianum; RN given refers to cpd without isomeric designation	2.01	1	0	hopanoid; pentacyclic triterpenoid; tertiary alcohol	plant metabolite
cyclo(alanylalanyl) [no description available]	2.01	1	0
chlorosyl chlorosyl: do not confuse with chlorsyle or chlorozil	2.07	1	0	chlorine oxide; inorganic radical
diopside [no description available]	2.52	2	0
technetium tc 99m pentetate Technetium Tc 99m Pentetate: A technetium imaging agent used in renal scintigraphy, computed tomography, lung ventilation imaging, gastrointestinal scintigraphy, and many other procedures which employ radionuclide imaging agents.	2.06	1	0
metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.	3.26	6	0	iodine oxoanion; monovalent inorganic anion
thiophosphoric acid thiophosphoric acid: RN given refers to parent cpd	2.08	1	0	phosphorothioic acid
potassium iron(iii) hexacyanoferrate (ii) potassium iron(III) hexacyanoferrate (II): used in treatment of thallium poisoning	2.44	2	0
trimethylsilyldiazomethane trimethylsilyldiazomethane: reagent for organic synthesis	2.46	2	0
tyrosine-4-azophenyltrimethylammonium chloride tyrosine-4-azophenyltrimethylammonium chloride: tool for investigating parameters of immune response	2.31	1	0
alpha-aminooxy-beta-phenylpropionic acid alpha-aminooxy-beta-phenylpropionic acid: inhibits phenylalanine ammonia-lyase; RN given refers to (S)-isomer	1.96	1	0
(3-acrylamidopropyl)trimethylammonium chloride [no description available]	2.25	1	0
isopulegol isopulegol: isolated from Mentha cardiaca structure in first source	2.05	1	0	p-menthane monoterpenoid	metabolite
terics terics: medicated blocks used for control of cattle bloat; RN given is for teric N; nonylphenol ethoxylate is resistant to environmental breakdown so EPA discourages use	2.72	2	0
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	6.78	44	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
angiotensin ii Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).	2.89	4	0	amino acid zwitterion; angiotensin II	human metabolite
pyrenesulfonyl azide pyrenesulfonyl azide: used as lipohilic photolabel	1.96	1	0
1-methyl-3-ethylimidazolium 1-methyl-3-ethylimidazolium: structure given in first source. 1-ethyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl.	2.79	3	0	1-alkyl-3-methylimidazolium
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	3.68	10	0
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	13.26	328	2
erlotinib hydrochloride [no description available]	5.09	1	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
homocysteic acid homocysteic acid: promotes growth in hypophysectomized rats; RN given refers to parent cpd. homocysteic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid.. L-homocysteic acid : A homocysteic acid with L-configuration.	2.06	1	0	homocysteic acid	NMDA receptor agonist
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	5.89	31	0	divalent inorganic anion; phosphite ion
dexketoprofen trometamol dexketoprofen trometamol: a water-soluble tromethamine salt of the racemic ketoprofen, rac(+-)-ketoprofen	2.15	1	0
nickel monoxide [no description available]	4.69	26	0
oxonia active Oxonia Active: a mixture of hydrogen peroxide, peracetic and acetic acids, and 1-hydroxyethylidene-1,1-diphosphonic acid	2.03	1	0
psyllium Psyllium: Dried, ripe seeds of PLANTAGO PSYLLIUM; PLANTAGO INDICA; and PLANTAGO OVATA. Plantain seeds swell in water and are used as demulcents and bulk laxatives.	4.51	5	1	very long-chain fatty acid
1-hydroxy-7-azabenzotriazole 1-hydroxy-7-azabenzotriazole: structure in first source	2.03	1	0
spinosyn d spinosyn D: a macrolide, structure in first source. spinosyn D : A spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. One of the two active ingredients of spinosad.	2.31	1	0	spinosyn insecticide; spinosyn	pediculicide
dn 108 DN 108: RN & structure in first source	2.04	1	0
aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.	4.71	8	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
4-nitrobenzenesulfonyl fluoride 4-nitrobenzenesulfonyl fluoride: protein modifying agent	1.97	1	0
phenserine phenserine: a carbamate analog of physostigmine; a long-acting inhibitor of cholinesterase	2.03	1	0
diazoacetamide [no description available]	2.04	1	0
pentafluorophenylmethacrylate pentafluorophenylmethacrylate: copolymerized with methylmethacrylate	2.21	1	0
tunicamine tunicamine: structure given in first source	2.02	1	0
baconipyrone c baconipyrone C: RN given for (alphaR-(alphaR(1(R),2R),betaR,gammaS,epsilonS))-isomer; isolated from Siphonariid mollusks; structure in first source	2.03	1	0
sirohydrochlorin [no description available]	2.13	1	0
6-(n-(4-aminobutyl)-n-ethyl)amino-2,3-dihydrophthalazine-1,4-dione 6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione: forms a conjugate with progesterone; conjugate used for immunoassay of plasma progesterone	2.1	1	0	phthalazines
chlorite [no description available]	7.25	1	0	chlorine oxoanion; monovalent inorganic anion
fe(iii)-edta Fe(III)-EDTA: iron fortifying agent; RN given refers to parent cpd	2.42	2	0	iron coordination entity
cadmium metallothionein cadmium-binding protein: metallothionein which serves in a metal-sequestering mechanism	2.1	1	0
anabasine Anabasine: A piperidine botanical insecticide.. (S)-anabasine : The (S)-enantiomer of anabasine.. anabasine : A pyridine alkaloid that is pyridine substituted by a piperidin-2-yl group at position 3.	2.07	1	0	anabasine
pinoxaden pinoxaden: structure in first source. pinoxaden : A pyrazolooxadiazepine that is 7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin which is substituted at positions 8 and 9 by 2,6-diethyl-4-methylphenyl and pivaloyloxy groups, respectively. A pro-herbicide (by hydrolysis of the pivalate ester to give the corresponding enol), it is used for control of grass weeds in cereal crops.	2.41	1	0	pivalate ester; pyrazolooxadiazepine	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; environmental contaminant; proherbicide; xenobiotic
prizes acetamiprid: structure in first source. (E)-acetamiprid : The (E)-stereoisomer of acetamiprid.. acetamiprid : A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group.	2.46	2	0	carboxamidine; monochloropyridine; nitrile	environmental contaminant; neonicotinoid insectide; xenobiotic
azd2563 posizolid: an antitubercular agent; structure in first source	2.01	1	0
deferasirox Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA.. deferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.	3.51	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
sorafenib [no description available]	2.93	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
hexachlorocyclotriphosphazene hexachlorocyclotriphosphazene: RN given refers to parent cpd; structure	2.06	1	0
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	4.36	19	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
erythritol [no description available]	2.31	1	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	3.18	5	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
delrin delrin: linear polyoxymethylene type acetal resin made by polymerization of formaldehyde; RN refers to multi-polymer	2.06	1	0
cortisone [no description available]	2.85	4	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
lithium fluoride lithium fluoride: RN given refers to cpd with MF of Li-F; GR200-A is LiF activated by Mg, Cu, and P	2.76	3	0
ferrocene dicarboxylic acid ferrocene dicarboxylic acid: structure in first source	2.17	1	0
3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.	3.38	7	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2.57	2	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
sodium sulfide sodium sulfide: see also record for sodium bisulfide; actisoufre is the sodium sulfide component of sulfur-containing thermal springs which is also found in Saccharomyces cerevisiae	2.43	2	0
4-mercaptophenol 4-mercaptophenol: structure in first source	2.07	1	0
lanosterol [no description available]	1.95	1	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
pheophorbide a pheophorbide a: split product of chlorophyll obtained by saponification of pheophytin	2.03	1	0
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	4.26	17	0
potassium bromide potassium bromide : A metal bromide salt with a K(+) counterion.	2.02	1	0	potassium salt
norfentanyl norfentanyl: metabolite of fentanyl; RN given refers to parent cpd; structure given in first source. norfentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N'-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl.	2.6	1	0	anilide; monocarboxylic acid amide; piperidines	drug metabolite; opioid analgesic
calendula Calendula: A plant genus of the family ASTERACEAE. Members contain CAROTENOIDS, essential oils (OILS, VOLATILE), flavonoids, mucilage, SAPONINS, and STEROLS. The plants are used both topically and internally. The common name of Marigold is also used for TAGETES.	2.31	1	0
cyclotriveratrylene cyclotriveratrylene: structure in first source	2.6	1	0
homoharringtonine Homoharringtonine: Semisynthetic derivative of harringtonine that acts as a protein synthesis inhibitor and induces APOPTOSIS in tumor cells. It is used in the treatment of MYELOID LEUKEMIA, CHRONIC.. omacetaxine mepesuccinate : A cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia.	2.04	1	0	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor
hafnia Hafnia: A genus of straight, gram-negative bacterial rods which are facultatively anaerobic and motile by peritrichous flagella. This genus is found in human and animal feces, soil, water, and dairy products. It is an opportunistic pathogen in humans. (From Bergey's Manual of Determinative Bacteriology, 9th ed)	2.07	1	0
2-oxindole 2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2.	4.42	20	0	gamma-lactam; indolinone
o-iodoxybenzoic acid o-iodoxybenzoic acid: structure in first source. 1-hydroxy-1,3-dioxobenziodoxole : A benziodoxole compound having hydroxy and oxo substituents at the 1-position and an oxo substituent at the 3-position. It is a mild and efficient hypervalent iodine synthetic reagent used to carry out several selective oxidation reactions.	2.07	1	0	benziodoxole	EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; oxidising agent
tert-butyl cinnamate tert-butyl cinnamate: structure in first source	2.05	1	0
calcein am calcein AM: a non-fluorescent compound cleaved to a fluorescent compound by non-specific intracellular esterases. calcein am : An organic heteropentacyclic compound that is calcein in which all four carboxy group hydrogens have been substituted by (acetyloxy)methoxy groups and the hyrodgens of the two hydroxy groups have been substituted by acetyl groups. It is a a non-fluorescent probe cleaved to a fluorescent probe by non-specific intracellular esterases.	2.13	1	0	2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye	fluorochrome
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	5.55	4	1	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
acetogenins Acetogenins: Polyketides of up to a few dozen carbons in length, formed by chain extension of multiple PROPIONATES and oxygenated to form tetrahydrofuran and lactone rings along the length of the chain. They are found in ANNONACEAE and other PLANTS. Related compounds cyclize to MACROLIDES.	2.11	1	0
dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.	2.52	2	0
methylmercuric chloride methylmercuric chloride: RN given refers to unlabeled cpd	2.21	1	0	chlorine molecular entity; mercury coordination entity; one-carbon compound
nsc 141537 diacetoxyscirpenol: mycotoxin belonging to 12,13-epoxytrichothecene group; RN given refers to (3alpha,4beta)-isomer; structure	2.13	1	0	trichothecene
permanganate [no description available]	5.4	3	1	manganese oxoacid
carboplatin [no description available]	5.97	7	1
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.99	4	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.	3.49	8	0
ribulose 5-phosphate ribulose 5-phosphate: RN given refers to cpd without isomeric designation. D-ribulose 5-phosphate : The D-enantiomer of ribulose 5-phosphate that is one of the end-products of the pentose phosphate pathway.. ribulose 5-phosphate : A ribulose phosphate in which the phosphate group is attached at position 5.	3.98	2	0	ribulose 5-phosphate	mouse metabolite
arabinose [no description available]	3.04	5	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.	2.52	2	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
fibrin Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot.	8.77	10	0	peptide
bradykinin [no description available]	1.94	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
amylopectin Amylopectin: A highly branched glucan in starch.. amylopectin : A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues.	5.23	3	1
hexacyanoferrate iii hexacyanoferrate III: RN given refers to parent cpd	3.68	9	0
glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.	3.6	9	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
polygalacturonic acid galacturonic acid: N1 same as NM; RN given refers to parent cpd with unspecified isomeric designation. D-galactopyranuronic acid : The pyranose form of D-galacturonic acid. D-galacturonic acid : The D-enantiomer of galacturonic acid. It is the main component of pectin.	2.74	3	0	D-galacturonic acid
elastin [no description available]	2.53	2	0	oligopeptide
carnosine polaprezinc: stimulates bone growth	2.46	2	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	5.64	3	1	3,5-dihydroxy-3-methylpentanoic acid
raffinose Raffinose: A trisaccharide occurring in Australian manna (from Eucalyptus spp, Myrtaceae) and in cottonseed meal.. raffinose : A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively.	2.01	1	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	2.25	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
epiglucan epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction.	3.29	6	0
n-acetyllactosamine N-acetyllactosamine: RN given refers to D-isomer. N-acetyllactosamine : A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre.	2.01	1	0	beta-D-Galp-(1->4)-D-GlcpNAc
diaminopimelic acid Diaminopimelic Acid: A diamino derivative of heptanedioic acid with amino groups at C-2 and C-6 and the general formula (COOH)CH(NH2)CH2CH2CH2CH(NH2)(COOH).. LL-2,6-diaminopimelic acid : A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall.	2.72	3	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
oxytocin Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.	7.87	4	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
d-tagatose D-tagatopyranose : The pyranose form of D-tagatose.	3.38	1	1	D-tagatose
dopaquinone [no description available]	2.6	1	0	1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative	human metabolite; mouse metabolite
amylodextrins amylodextrin : A linear dextrin or short chained amylose (DP 20-30) that can be produced by enzymatic hydrolysis of the alpha-1,6 glycosidic bonds or debranching amylopectin.	1.99	1	0	maltose
theanine theanine: RN given refers to (L)-isomer; precursor of ethylamine; found in green tea. N(5)-ethyl-L-glutamine : A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea.	2.07	1	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	2.07	1	0	myo-inositol trisphosphate	mouse metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	2.64	3	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
stachyose stachyose: RN given refers to parent cpd. stachyose : A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose.	2.01	1	0	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite
reticuline reticuline: opium alkaloid; dopamine receptor blocker; RN given refers to (S)-isomer; structure. (S)-reticuline : The (S)-enantiomer of reticuline.	2.11	1	0	reticuline	EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor
tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.	2.47	2	0	tartaric acid	Escherichia coli metabolite
monoiodotyrosine Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.. iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.. monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.. 3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group.	2.35	2	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
5-methyldeoxycytidine [no description available]	3.18	1	0	2'-deoxycytidine
1-kestose 1-kestose: sugar found in vegetables; structure given in first source. 1-kestose : A trisaccharide found in vegetables consisting of beta-D-fructofuranose having beta-D-fructofuranosyl and alpha-D-glucopyranosyl residues attached at the 1- and 2-positions respectively.	2.05	1	0	trisaccharide
inositol 3-phosphate inositol 3-phosphate: RN given refers to (myo)-isomer	2.39	2	0
adenosine 5'-o-(3-thiotriphosphate) adenosine 5'-O-(3-thiotriphosphate): RN given refers to cpd with unspecified locant for thio group; see also records for 1-thio & 2-thio-isomers. adenosine 5'-[gamma-thio]triphosphate : A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur.	2	1	0	nucleoside triphosphate analogue
arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage.	2.11	1	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
fructans (2->6)-beta-D-fructan : A fructan compound consisting of repeating (2->6)-beta-linked fructofuranose units.	4.8	2	1
cellulase Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position.	7.68	44	1	cellotriose
iduronate Iduronic Acid: Component of dermatan sulfate. Differs in configuration from glucuronic acid only at the C-5 position.. iduronic acid : A member of the class of iduronic acids that is the major uronic acid component of the dermatan sulfate and heparin.. idopyranuronic acid : The pyranose form of iduronic acid.. L-idopyranuronic acid : The L-stereoisomer of idopyranuronic acid.. L-iduronic acid : Any iduronic acid having L-configuration.	1.95	1	0	idopyranuronic acid; L-iduronic acid
strychnine Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.	3.02	4	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	2.4	2	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
meropenem Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively.	5.14	2	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.	2.69	3	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle.	10.56	58	8	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
terconazole terconazole: structure & RN for (cis)-isomer from first source. terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).. (2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.	1.94	1	0	1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
linezolid [no description available]	2.17	1	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
phalloidine Phalloidine: Very toxic polypeptide isolated mainly from AMANITA phalloides (Agaricaceae) or death cup; causes fatal liver, kidney and CNS damage in mushroom poisoning; used in the study of liver damage.. phalloidin : A homodetic bicyclic heptapeptide having a sulfide bridge.	1.97	1	0	homodetic cyclic peptide
indican [no description available]	3.8	3	0	beta-D-glucoside; exopolysaccharide; indolyl carbohydrate
brucine brucine: was heading 1991-94 (see under STRYCHNINE 1975-90); DIMETHOXYSTRYCHNINE was see BRUCINE 1975-94; use STRYCHNINE to search BRUCINE 1975-94; very toxic alkaloid from Nux vomica similar to strychnine; used as reagent in analytical chemistry; was MH 1991-94	2.8	3	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound
stevioside stevioside: Kaurene glucoside from leaves of Stevia rebaudiana; 300 times as sweet as sugar. stevioside : A diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America.. diterpene glycoside : A terpene glycoside in which the terpene moiety is a diterpenoid.	2.6	1	0	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent
naringin [no description available]	2.61	2	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
ochratoxin a ochratoxin A: structure in first source & in Merck, 9th ed, #6549. ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.	4.04	12	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
juliflorine juliflorine: alkaloid from Psosopis juliflora; structure given in first source	2.08	1	0	citraconoyl group
gingerol gingerol: an active ingredient in GINGER along with SHOGAOL. a nonvolatile methoxy phenyl decanone. gingerol : A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger.	2.13	1	0	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	3.32	6	0
spinosyn a spinosyn A: a macrolide ; structure in first source. spinosyn A : A spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad.	2.31	1	0	spinosyn insecticide; spinosyn	pediculicide
acriflavine Acriflavine: 3,6-Diamino-10-methylacridinium chloride mixt. with 3,6-acridinediamine. Fluorescent dye used as a local antiseptic and also as a biological stain. It intercalates into nucleic acids thereby inhibiting bacterial and viral replication.	2.39	2	0
ergonovine Ergonovine: An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.. ergometrine : A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.	1.95	1	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
sultamicillin sultamicillin: contains ampicillin & sulbactam	4.9	1	1	penicillanic acid ester
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	6.7	66	0	cyclodextrin
acetyl coenzyme a Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.	6.17	24	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid	2.45	2	0	cinnamic acid	plant metabolite
ergosterol [no description available]	1.95	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	5.3	3	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	1.99	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
alpha-cyclodextrin alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units.	2.96	4	0	cyclodextrin
fumaric acid fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.	5.92	13	2	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
desthiobiotin desthiobiotin: RN given refers to cpd without isomeric designation; structure. (4R,5S)-dethiobiotin : The (4R,5S)-isomer of dethiobiotin.	2.13	1	0	dethiobiotin
3-hydroxy-3-methylglutaryl-coenzyme a 3-hydroxy-3-methylglutaryl-coenzyme A: RN given refers to cpd without isomeric designation. 3-hydroxy-3-methylglutaryl-CoA : An alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid.. (3S)-3-hydroxy-3-methylglutaryl-CoA : A 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration.	3.58	2	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	11.8	9	2	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
methionine sulfone methionine sulfone: RN given refers to unlabeled parent cpd without isomeric designation. methionine sulfone : A methionine derivative in which the sulfur has been oxidised to the corresponding sulfone.. L-methionine sulfone : An L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone.	2.06	1	0	L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfone; non-proteinogenic L-alpha-amino acid	animal metabolite
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	2.68	3	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
cyanoginosin lr cyanoginosin LR: cyclic heptapeptide from cyanobacterium Microcystis aeruginosa. microcystin-LR : A microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl,L-arginyl, 2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. Produced by the cyanobacterium Microcystis aeruginosa, it is the most studied of the microcystins.	3.63	8	0	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	10.02	38	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
ferric hydroxide ferric hydroxide: additional RNs for iron hydroxide oxide: 11115-92-7, 20344-49-4; RN for unspecified iron hydroxide: 11113-66-9	8.68	9	0
ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.	3.35	6	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid.	12.85	23	1	D-galactopyranuronic acid
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	6.18	38	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	2.53	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
clindamycin Clindamycin: An antibacterial agent that is a semisynthetic analog of LINCOMYCIN.. clindamycin : A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.	2.05	1	0
lycopene [no description available]	2.1	1	0	acyclic carotene	antioxidant; plant metabolite
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	3.01	4	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
2-butenal crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position.	3.13	1	0	enal
benzoylecgonine benzoylecgonine: cocaine is benzoyl methyl ecgonine; RN given refers to (1R-(exo,exo))-isomer; structure. ecgonine benzoate : A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.	2.49	2	0	benzoate ester; tropane alkaloid	epitope; human xenobiotic metabolite; marine xenobiotic metabolite; plant metabolite
prostaglandin d2 Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.. prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).	2.39	2	0	prostaglandins D	human metabolite; mouse metabolite
diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.	2.93	4	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
gs 4071 GS 4071: The acid form.. oseltamivir acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza.	2.11	1	0	acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite
imidazolidines [no description available]	3.59	8	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES).	2.46	2	0
valrubicin [no description available]	2.11	1	0	anthracycline; trifluoroacetamide
dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)	2.87	4	0	actinomycin	mutagen
azaserine Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent.. azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species.	2.6	1	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	4.9	1	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.	2.06	1	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
8-prenylnaringenin 8-prenylnaringenin: a phytogenic antineoplastic agent; structure in first source. sophoraflavanone B : A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8.	2.03	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	plant metabolite; platelet aggregation inhibitor
favipiravir favipiravir : A member of the class of pyrazines that is pyrazine substituted by aminocarbonyl, hydroxy and fluoro groups at positions 2, 3 and 6, respectively. It is an anti-viral agent that inhibits RNA-dependent RNA polymerase of several RNA viruses and is approved for the treatment of influenza in Japan.	2.6	1	0	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
riboflavin vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).	6.49	33	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
likviriton liquiritin: isoalted from Glycyrrhizae radix. liquiritin : A flavanone glycoside that is liquiritigenin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage.	2.52	2	0	beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative	anti-inflammatory agent; anticoronaviral agent; plant metabolite
2,3-bis(bromomethyl)quinoxaline-1,4-dioxide conoidin A: inhibits the peroxiredoxin TgPrx11; structure in first source	4.61	1	1
isoxanthohumol isoxanthohumol: structure in first source	2.03	1	0	flavanones
5-fluoro-2'-deoxycytidine 5-fluoro-2'-deoxycytidine: structure	3.42	1	1
potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed)	3.12	5	0
sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.	3.66	9	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
potassium bicarbonate potassium hydrogencarbonate : A potassium salt that is the monopotassium salt of carbonic acid. It has fungicidal properties and is used in organic farming for the control of powdery mildew and apple scab.	2.05	1	0	organic salt; potassium salt	antifungal agrochemical; buffer; food acidity regulator; raising agent
sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.	3.13	5	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.	2.37	2	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
mesoxalonitrile mesoxalonitrile: minor descriptor (75-83); on-line & Index Medicus search NITRILES (75-83)	2.03	1	0	alpha-ketonitrile; nitrile
zn(ii)-phthalocyanine [no description available]	3.33	6	0	metallophthalocyanine; zinc tetrapyrrole	fluorochrome
dipyrone Dipyrone: A drug that has analgesic, anti-inflammatory, and antipyretic properties. It is the sodium sulfonate of AMINOPYRINE.. metamizole sodium : An organic sodium salt of antipyrine substituted at C-4 by a methyl(sulfonatomethyl)amino group, commonly used as a powerful analgesic and antipyretic.	2.37	2	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
oxazolidine oxazolidine: structure given in first source	2.05	1	0	oxazolidine
1,1-diamino-2,2-dinitroethylene 1,1-diamino-2,2-dinitroethylene: structure in first source	7.02	1	0
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	3.08	4	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
di-tert-butyldiaziridinone di-tert-butyldiaziridinone: structure in first source	2.04	1	0
6-mercapto-1-hexanol [no description available]	2.21	1	0
calix(4)arene calix(4)arene: a cyclophane consisting of four phenolic units linked by methylene groups; structure in first source	2.98	4	0
2,5-dimethyl-3-methoxypyrazine [no description available]	2.13	1	0
bis(8-quinolinolato)copper(ii) [no description available]	2.02	1	0
crotonic acid crotonic acid: a stereospecific unsaturated carboxylic acid found in CROTON OIL. butenoic acid : Any C4, straight-chain fatty acid containing one double bond.. crotonic acid : A but-2-enoic acid with a trans- double bond at C-2. It has been isolated from Daucus carota.	2.17	1	0	2-butenoic acid	plant metabolite
cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.	11.61	8	2	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
glycosides [no description available]	6.32	20	0
benzylideneacetone benzylideneacetone: RN given refers to cpd without isomeric; structure in Merck Index, 9th ed, #1153. trans-benzylideneacetone : The trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.. benzylideneacetone : An enone in which a phenyl ring is attached to the beta-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the alpha,beta-unsaturated ketone, only the trans-isomer is observed.	2.46	2	0	benzylideneacetone	bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance
chalcone trans-chalcone : The trans-isomer of chalcone.	3.23	6	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
sinapinic acid sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration.	2.03	1	0	sinapic acid	MALDI matrix material; plant metabolite
isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed)	8.82	92	1	isomethyleugenol
1,3,5,7-cyclooctatetraene 1,3,5,7-cyclooctatetraene: structure in first source. [8]annulene : An antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.	2.06	1	0
fumaronitrile [no description available]	2.05	1	0
retinaldehyde Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.. all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry.	2.71	3	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	3.71	2	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate	7.9	4	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	5.12	13	0	stilbene
antofine antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities.	2.46	2	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
xanthohumol xanthohumol: from hop plant, Humulus lupulus. xanthohumol : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.	2.46	2	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
prolinol prolinol: RN given refers to cpd without isomeric designation; structure. prolinol : An amino alcohol formed by reduction of the amino acid proline.	2.08	1	0
sorbic acid Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.. (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring.	3.91	3	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)	4.07	14	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
buprenorphine Buprenorphine: A derivative of the opioid alkaloid THEBAINE that is a more potent and longer lasting analgesic than MORPHINE. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use.. buprenorphine : A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain.	2.76	3	0	morphinane alkaloid	delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic
arginine vasopressin Arginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.. argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.	2	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	4.11	15	0	diphosphate ion
s 1033 [no description available]	2.08	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
amygdalin [no description available]	2.02	1	0
sodium metabisulfite sodium metabisulfite: request from searcher; RN given refers to disulfurous acid, di-Na salt. sodium disulfite : An inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio.	5.09	1	1	inorganic sodium salt	food antioxidant
tram 34 TRAM 34: inhibits IKCa1; structure in first source	3.44	1	1	organochlorine compound
dithizone Dithizone: Chelating agent used for heavy metal poisoning and assay. It causes diabetes.	2.05	1	0
sesquiterpenes [no description available]	3.57	8	0
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.	2.57	2	0
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	3.27	6	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
thioinosine Thioinosine: Sulfhydryl analog of INOSINE that inhibits nucleoside transport across erythrocyte plasma membranes, and has immunosuppressive properties. It has been used similarly to MERCAPTOPURINE in the treatment of leukemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p503)	2.05	1	0
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	3.18	5	0	caffeic acid	geroprotector; mouse metabolite
captax captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.	2.17	1	0	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
thiopyrine thiopyrine: RN from 9th CI; RN not in Chemline 7/83	2.03	1	0
cotinine Cotinine: The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.. (-)-cotinine : An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.	3.03	4	0	N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid	antidepressant; biomarker; human xenobiotic metabolite; plant metabolite
pyridine-2,6-dicarboxamide pyridine-2,6-dicarboxamide: structure in first source	2.11	1	0
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	5.88	27	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
hypocrellin b hypocrellin B: photosensitive pigments isolated from Hypocrella bambusae Sacc; structure given in first source	2.01	1	0
rhodanine 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure	2.07	1	0	thiazolidinone
methimazole Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.	2.49	2	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.	2.05	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	3.82	10	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
enclomiphene Enclomiphene: The trans or (E)-isomer of clomiphene.	1.94	1	0
terbinafine [no description available]	2.04	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
allylthiourea [no description available]	7.45	2	0	thioureas	metabolite
tosylarginine methyl ester Tosylarginine Methyl Ester: Arginine derivative which is a substrate for many proteolytic enzymes. As a substrate for the esterase from the first component of complement, it inhibits the action of C(l) on C(4).	2	1	0	guanidines; L-arginine ester; methyl ester; sulfonamide
oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent.	2.07	1	0
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	3.11	4	0	cinnamate ester; tannin	food component; plant metabolite
thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.	2.81	3	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.	1.98	1	0	barbiturates	allergen; reagent
1,3-dimethylthiourea [no description available]	2.96	4	0
2-thiopyridine 2-thiopyridine: RN given refers to parent cpd. pyridine-2-thiol : Pyridine substituted at C-2 by a sulfanyl group.	2.41	2	0	aryl thiol; pyridines	allergen; fluorescence quencher
thiosemicarbazide thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group.	2.52	2	0	hydrazines; thiocarboxamide; thioureas
thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.	4.51	23	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
safranine t safranin O : An organic chloride salt having 3,7-diamino-2,8-dimethyl-5-phenylphenazin-5-ium as the counterion. It is commonly used for staining Gram negative bacteria.	2.08	1	0	organic chloride salt	fluorochrome; histological dye
sodium propionate sodium propionate: was term of propionic acid (1986-2006). sodium propionate : An organic sodium salt comprising equal numbers of sodium and propionate ions.	1.97	1	0	organic sodium salt	antifungal drug; food preservative
indigo carmine Indigo Carmine: Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk.. indigo carmine : An organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow.	5.73	5	1
D-fructopyranose [no description available]	9.28	33	3	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
4-thiopyridine 4-thiopyridine: RN given refers to 4-thiopyridine cpd	2	1	0
thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.	1.95	1	0	thiocarboxamide	hepatotoxic agent
tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.	3.79	10	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
ferric ferrocyanide ferric ferrocyanide: antidote to thallium poisoning; RN given refers to Fe(+3)[3:4] salt; structure	6.11	36	0
tungsten carbide tungsten carbide: RN given refers to cpd with unspecified MF	8.91	3	0
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	1.95	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
4'-aminobenzo-15-crown-5 4'-aminobenzo-15-crown-5: structure in first source	2.06	1	0
selectfluor selectfluor: structure in first source	2.11	1	0
ytterbium(iii) triflate [no description available]	2.06	1	0
fumonisin b1 fumonisin B1: isolated from Fusarium moniliforme MRC 826; structure given in first source; has cancer-promoting activity; inhibits ceramide synthase. fumonisin B1 : A diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.	2	1	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole 1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole: intermediate in the synthesis of imidazolineoxyl N-oxides; partial structure given in first source	2.17	1	0	benzoic acid; imidazolines; organic radical	apoptosis inhibitor; radical scavenger
2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide 2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide: partial structure given in first source; endothelium-derived relaxing factor antagonist	2.17	1	0
tamoxifen [no description available]	3.03	4	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
sodium taurodeoxycholate Taurodeoxycholic Acid: A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.. taurodeoxycholic acid : A bile acid taurine conjugate of deoxycholic acid.. taurodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid.	2.36	2	0	bile acid taurine conjugate	human metabolite
methyltrioxorhenium methyltrioxorhenium VII: reagent used as an oxidation catalyst for a wide range of materials	2.03	1	0
tetraoctylammonium bromide tetraoctylammonium bromide: a phase transfer reagent	2.1	1	0
1-butyl-3-methylimidazolium chloride 1-butyl-3-methylimidazolium chloride: structure in first source	3.19	5	0
1-butyl-3-methylimidazolium 1-butyl-3-methylimidazolium: structure in first source. 1-butyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is butyl.	2.49	2	0	1-alkyl-3-methylimidazolium
1-butyl-3-methylimidazolium hexafluorophosphate 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source	4.1	14	0
1-butyl-3-methylimidazolium tetrafluoroborate [no description available]	2.99	4	0
buclizine 1-octyl-3-methylimidazolium: structure in first source. 3-methyl-1-octylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is octyl.	2.13	1	0	1-alkyl-3-methylimidazolium
1-octyl-3-methylimidazolium hexafluorophosphate 1-octyl-3-methylimidazolium hexafluorophosphate: is a nonaqueous ionic liquid	2.03	1	0
nadp [no description available]	5.26	17	0
4-aminophenylboronic acid 4-aminophenylboronic acid: used in sensors for detection of sialic acid residues; structure in first source	2.13	1	0
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	2.74	3	0
ethyl trifluoropyruvate [no description available]	2.05	1	0
5-carboxytetramethylrhodamine succinimidyl ester [no description available]	2.47	2	0
2-heptyl-3-hydroxy-4-quinolone 2-heptyl-3-hydroxy-4-quinolone: structure in first source. 2-heptyl-3-hydroxy-4-quinolone : A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2 and a hydroxy group at position 3.	2.41	1	0	quinolone	signalling molecule
1-ethyl-3-methylimidazolium tetrafluoroborate 1-ethyl-3-methylimidazolium tetrafluoroborate: an ionic liquid; structure in first source	2.48	2	0
2,3,3,3-tetrafluoropropene 2,3,3,3-tetrafluoropropene: structure in first source	2.1	1	0
krn 7000 KRN 7000: has an alpha-galactosylceramide structure; structure given in first source. alpha-galactosylceramide : A galactosylceramide in which the galactosyl residue has alpha anomeric conofiguration.. 1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine : A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen.	2.17	1	0	glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine	allergen; antigen; antineoplastic agent; epitope; immunological adjuvant
zeranol Zeranol: A non-steroidal estrogen analog.	2.51	2	0	macrolide
lincomycin Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.. lincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis.	2.94	4	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
nabam mancozeb: complex of zinc & maneb, containing 20% manganese & 2.5% zinc. mancozeb : A mixture composed from maneb and zineb, which is used as a broad-spectrum contact fungicide.. ethylenebis(dithiocarbamic acid) : A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine.	2.1	1	0	dithiocarbamic acids
valinomycin Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.	8.22	6	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
thiopental Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	6.92	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
ranitidine Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.. ranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.	2.1	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products.	12.49	86	0
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	8.12	121	0	alkali metal atom
zineb Zineb: An agricultural fungicide of the dithiocarbamate class. It has relatively low toxicity and there is little evidence of human injury from exposure.. zineb : A polymeric complex of zinc with the ethylene bis(dithiocarbamate) anionic ligand. Formerly used as an agricultural fungicide for the control of downy mildews and rusts, its use is no longer permitted in the US or the EU.	2.1	1	0	dithiocarbamate salt; macromolecule; zinc coordination entity	antifungal agrochemical
n-ethylthiourea [no description available]	1.96	1	0	thioureas
cobaltous chloride cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants.	4.53	5	1	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
nitrogen dioxide Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface.	14.79	64	3	nitrogen oxide
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab.	2.1	1	0
dermatan sulfate Dermatan Sulfate: A naturally occurring glycosaminoglycan found mostly in the skin and in connective tissue. It differs from CHONDROITIN SULFATE A (see CHONDROITIN SULFATES) by containing IDURONIC ACID in place of glucuronic acid, its epimer, at carbon atom 5. (from Merck, 12th ed). alpha-L-IdopA-(1->3)-beta-D-GalpNAc4S : An oligosaccharide sulfate that is 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding alpha-L-idopyranuronoside.. dermatan sulfate : Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units.	1.95	1	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
raclopride Raclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist.	2.48	2	0	salicylamides
quinine [no description available]	7.66	3	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
azoxystrobin azoxystrobin: a methoxyacrylate analog; a strobilurin fungicide; structure given in first source. azoxystrobin : An aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 2-methoxy-1-(methoxycarbonyl)vinyl substituent, also at C-2. An inhibitor of mitochondrial respiration by blocking electron transfer between cytochromes b and c1, it is used widely as a fungicide in agriculture.	2.08	1	0	aryloxypyrimidine; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; methyl ester; nitrile	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; quinone outside inhibitor; xenobiotic
methyl radical [no description available]	12.46	90	0	organic radical
2,2-dimethyl-5-hydroxy-1-pyrrolidinyloxy 2,2-dimethyl-5-hydroxy-1-pyrrolidinyloxy: structure given in first source	2.1	1	0
cystine [no description available]	2.66	3	0
diethylstilbestrol monophosphate [no description available]	2.6	1	0
freedom Freedom: The rights of individuals to act and make decisions without external constraints.	2.31	1	0
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.52	2	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
orthoclase orthoclase: RN given refers to cpd with MF of Al-H-O8-Si3-K	2.17	1	0
calcium ammonium nitrate calcium ammonium nitrate: RN given refers to cpd with unspecified MF. calcium ammonium nitrate : A mixture obtained by combining ammonium nitrate, calcium nitrate and water. It is widely used as a nitrogen fertilizer in agriculture.	2.58	2	0
5-nitroso-salicylate 5-nitroso-salicylate: metabolite of 5-aminosalicylic acid	1.96	1	0	hydroxybenzoic acid
4-azidophenylalanine 4-azidophenylalanine: RN given refers to (L)-isomer. 4-azido-L-phenylalanine : A 4-azidophenylalanine that has L-configuration. It is used as a bioorthogonal click-chemistry reagent.. 4-azidophenylalanine : A phenylalanine derivative that is phenylalanine substituted by an azido group at position 4.	2.11	1	0
tris(2,2'-bipyridine)ruthenium iii tris(2,2'-bipyridine)ruthenium III: RN refers to trichloride	2.05	1	0
nitinol nitinol: RN given refers to cpd with MF of Ni-Ti; do not confuse with titanium nickelide; other nitinols (nitinol SE and nitinol 55) are Co-Ni-Ti alloys	2.79	3	0
bis(2,2'-bipyridyl)(dipyrido(3,2-alpha-2',3'-c)phenazine)ruthenium (ii) bis(2,2'-bipyridyl)(dipyrido(3,2-alpha-2',3'-c)phenazine)ruthenium (II): serves as molecular light switch for DNA, displaying no photoluminescence in aqueous solution but luminescing intensively in presence of DNA; structure given in first source	2.06	1	0
calixarenes Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name.	6.29	18	0
gma-edma GMA-EDMA: copolymer of glycidyl methacrylate & ethylene dimethacrylate; used for enzyme immobilization	2.5	2	0
18-crown-6 2,3,11,12-tetracarboxylic acid 18-crown-6 2,3,11,12-tetracarboxylic acid: structure in first source; RN given for (2R,3R,11,12)-isomer	2.02	1	0
dipyrromethene dipyrromethene: structure in first source. dipyrrin : A dipyrrin that consists of pyrrole bearing a pyrrol-2-ylidenemethyl substituent at the 2-position.	3.14	1	0	dipyrrins
silicon nitride [no description available]	3.17	5	0
phosphonic acid phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.	3.03	4	0
3-aminotyrosine [no description available]	1.96	1	0
salinomycin salinomycin: from Streptomyces albus; RN given refers to parent cpd; structure	2.8	3	0	polyketide; spiroketal	animal growth promotant; potassium ionophore
ginsenosides ginsenoside : Triterpenoid saponins with a dammarane-like skeleton originally isolated from ginseng (Panax) species. Use of the term has been extended to include semi-synthetic derivatives.	2.94	3	0
ru 42173 RU 42173: structure given in first source	3.9	2	1	benzazepine
phosphothreonine Phosphothreonine: The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes.. O-phospho-L-threonine : A L-threonine derivative phosphorylated at the side-chain hydroxy function.	6.83	27	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	4.47	22	0
anthraquinone sulfonate anthraquinone sulfonate: RN given refers to cpd with unspecified acid locant	2.06	1	0
epoxiconazole epoxiconazole : A racemate composed of equimolar amounts of (2S,3R)- and (2R,3S)-epoxiconazole. A broad-spectrum fungicide for control of diseases caused by Ascomycetes, Basidiomycetes and Deuteromycetes. Epoxiconazole is moderately toxic to birds, honeybees, earthworms and most aquatic organisms.. 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole : An epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups.	2.17	1	0	epoxide; monochlorobenzenes; monofluorobenzenes; triazoles
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	5.47	60	0	organic sodium salt	detergent; protein denaturant
blister blebbistatin: structure in first source. blebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.	2.06	1	0	cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone	inhibitor
16-mercaptohexadecanoic acid [no description available]	2.46	2	0
mtt formazan MTT formazan: a blue MEM-insoluble mitochondrial byproduct; used to determine viability of cells with active mitochondrial dehydrogenase enzymes	2.45	2	0
chloramine-t chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen.	2.39	2	0	organic sodium salt	allergen; antifouling biocide; disinfectant
flavan-3-ol flavan-3-ol: structure in first source	2.13	1	0	hydroxyflavonoid
2,4-dinitrophenylhydrazine 2,4-dinitrophenylhydrazine: structure. 2,4-dinitrophenylhydrazine : A C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups.	2.11	1	0	C-nitro compound; phenylhydrazines	reagent
zinc protoporphyrin ix [no description available]	2.11	1	0
alizarin red s Alizarin Red S: RN given refers to parent cpd; structure. alizarin red S : An organic sodium salt having 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate as the counterion. It is commonly used to stain embryo skeletons in cleared whole mounts, usually of small mammals.	3.37	6	0	organic sodium salt; organosulfonate salt	histological dye
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	4.4	21	0
furcellaran furcellaran: alginate rich in iodine	2.25	1	0
niobium carbide niobium carbide: found in some gypsum-bonded dental investments	2.47	2	0
2-ethynylaniline 2-ethynylaniline: structure in first source	2.08	1	0
17-ketosteroids 17-Ketosteroids: Steroids that contain a ketone group at position 17.. 17-oxo steroid : Any oxo steroid carrying the oxo group at position 17.	1.94	1	0
naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.	3.55	8	0
sodium borohydride sodium borohydride: RN given refers to parent cpd	2.73	3	0	inorganic sodium salt; metal tetrahydridoborate
lupitidine [no description available]	1.99	1	0
3-bromopropanesulfonate [no description available]	2.43	2	0
3,4-ethylenedioxythiophene 3,4-ethylenedioxythiophene: structure in first source	2.15	1	0
rhodamine 123 Rhodamine 123: A fluorescent probe with low toxicity which is a potent substrate for ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 and the bacterial multidrug efflux transporter. It is used to assess mitochondrial bioenergetics in living cells and to measure the efflux activity of ATP BINDING CASSETTE TRANSPORTER, SUBFAMILY B, MEMBER 1 in both normal and malignant cells. (Leukemia 1997;11(7):1124-30). rhodamine 123(1+) : A cationic fluorescent dye derived from 9-phenylxanthene.	2.97	4	0	organic cation; xanthene dye	fluorochrome
myelin basic protein Myelin Basic Protein: An abundant cytosolic protein that plays a critical role in the structure of multilamellar myelin. Myelin basic protein binds to the cytosolic sides of myelin cell membranes and causes a tight adhesion between opposing cell membranes.	2.15	1	0
palladium oxide palladium oxide: RN given refers to PdO	2.76	3	0
2-mercaptoacetate 2-mercaptoacetate: RN given refers to parent cpd	2.21	1	0	monocarboxylic acid anion
erbium oxide [no description available]	2.06	1	0
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	3.22	6	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	9.39	18	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin [no description available]	3.98	13	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	4.09	3	1	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	2.42	2	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
formononetin [no description available]	2.61	2	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	phytoestrogen; plant metabolite
sterigmatocystin [no description available]	2.97	4	0	sterigmatocystins	metabolite
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	4.25	4	0	trihydroxyflavone	antineoplastic agent; metabolite
luteolin [no description available]	4.16	4	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	10.11	10	1	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	2.7	3	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
psychosine [no description available]	2.06	1	0	glycosylsphingoid	human metabolite
ubiquinone 9 ubiquinone 9: a form of coenzyme Q found in many foods; RN given refers to (all-E)-isomer	3.42	1	1	ubiquinones	antioxidant; human metabolite
vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.	2.39	2	0
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	2.41	2	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
11-cis-retinal Rhodopsin: A purplish-red, light-sensitive pigment found in RETINAL ROD CELLS of most vertebrates. It is a complex consisting of a molecule of ROD OPSIN and a molecule of 11-cis retinal (RETINALDEHYDE). Rhodopsin exhibits peak absorption wavelength at about 500 nm.. 11-cis-retinal : A retinal having 2E,4Z,6E,8E-double bond geometry.	2.11	1	0	retinal	chromophore; human metabolite; mouse metabolite
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.6	1	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
rosin rosin: Resin from plant. Do not confuse with the specific compound: 3-phenyl-2-propenyl-(E)-beta-D-glucopyranoside, also know as rosin.	2.77	3	0
stigmasterol stigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen. stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.	1.95	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	4.96	2	1	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	9.19	15	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
kaempferol [no description available]	2.5	2	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
9-deoxy-delta-9-prostaglandin d2 9-deoxy-delta-9-prostaglandin D2: has potent antineoplastic & weak smooth muscle contracting activities; structure given in first source. prostaglandin J2 : A member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer).	2.02	1	0	prostaglandins J	human metabolite
6-ketoprostaglandin f1 alpha 6-Ketoprostaglandin F1 alpha: The physiologically active and stable hydrolysis product of EPOPROSTENOL. Found in nearly all mammalian tissue.. 6-oxoprostaglandin F1alpha : A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position.	1.97	1	0	prostaglandins Falpha	human metabolite; mouse metabolite
gamma-linolenic acid gamma-Linolenic Acid: An omega-6 fatty acid produced in the body as the delta 6-desaturase metabolite of linoleic acid. It is converted to dihomo-gamma-linolenic acid, a biosynthetic precursor of monoenoic prostaglandins such as PGE1. (From Merck Index, 11th ed). gamma-linolenic acid : A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.	1.99	1	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
alpha-linolenic acid linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.	2.55	2	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
genistein [no description available]	2.47	2	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	4.41	6	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
pulmicort Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.	2.31	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
entacapone entacapone: structure given in first source. entacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.	2.13	1	0	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
11-octadecenoic acid 11-octadecenoic acid: vaccenic acid is the (E)-isomer. trans-vaccenic acid : The trans- isomer of vaccenic acid.	2.07	1	0	vaccenic acid
jasmonic acid jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.	2.15	1	0	oxo monocarboxylic acid	jasmonates; plant metabolite
astaxanthine astaxanthine: a keto form of carotene; pigment in flesh of Scottish salmon (Salmo salar) crustacoa-lobster (Homarus gammarus, flamingo feathers; structure; a carotenoid without vitamin A activity, has shown anti-oxidant and anti-inflammatory activities. astaxanthin : A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.	2.03	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
canthaxanthin Canthaxanthin: A trans-carotenoid pigment widely distributed in nature. The compound is used as an oral suntanning agent and as a food and drug coloring agent. Oral ingestion of the compound causes canthaxanthin retinopathy.. canthaxanthin : A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'.	2.03	1	0	carotenone	biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite
cucurbitacin b [no description available]	2.1	1	0	cucurbitacin; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone
5,7-dihydroxychromone 5,7-dihydroxychromone: isolated from the roots of Bauhinia hupehara	2.1	1	0	chromones
esculetin esculetin: used in filters for absorption of ultraviolet light; structure. esculetin : A hydroxycoumarin that is umbelliferone in which the hydrogen at position 6 is substituted by a hydroxy group. It is used in filters for absorption of ultraviolet light.	2.52	2	0	hydroxycoumarin	antioxidant; plant metabolite; ultraviolet filter
esculin [no description available]	2.52	2	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.	11.76	9	1	alpha-humulene
zearalenone Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.. zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.	3.85	10	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
baicalein [no description available]	5.24	3	1	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.1	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
myricetin [no description available]	2.51	2	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
daidzein [no description available]	2.05	1	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
cynarine cynarine: active principle of the artichoke; functions primarily as a cholagogue and choleretic and also as antilipemic agent	2.25	1	0	alkyl caffeate ester; quinic acid	plant metabolite
tectoridin tectoridin: glycosylated tectorigenin. tectoridin : A glycosyloxyisoflavone that is tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.	2.21	1	0	7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; methoxyisoflavone; monosaccharide derivative	plant metabolite
ellagic acid [no description available]	2.1	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
ginkgolic acid [no description available]	2.25	1	0	hydroxybenzoic acid
cyhalothrin cyhalothrin: acaricidal & insecticidal synthetic pyrethroid; structure given in first source. cyhalothrin : A carboxylic ester obtained by formal condensation between 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol.	2.48	2	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
coenzyme q10 coenzyme Q10: Ubiquinone ring with a chain of 10 isoprene units; redox equilibrium with ubiqunol serving in mitochondrial inner membrane to transfer electrons; presence during reconstitution of acetylcholine receptor into phospholipid vesicles yields vesicles active in catalyzing carbamylcholine-sensitive Na+ flux; coenzyme Q10 depletion has been noted with use of statins. coenzyme Q10 : A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration.	2.06	1	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
methanophenazine methanophenazine: structure in first source	2.46	2	0	phenazines
4',7-dihydroxyflavone 4',7-dihydroxyflavone: inducer of nod gene. 4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7.	2.6	1	0	dihydroxyflavone	metabolite
mycolactone mycolactone: toxin from Mycobacterium ulcerans required for virulence	2.41	1	0	macrolide
glyceryl 2-arachidonate glyceryl 2-arachidonate: binds to cannabinoid receptors; structure in first source. 2-arachidonoylglycerol : An endocannabinoid and an endogenous agonist of the cannabinoid receptors (CB1 and CB2). It is an ester formed from omega-6-arachidonic acid and glycerol.	2.15	1	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
4-hydroxyestradiol 4-hydroxyestradiol: catechol estrogen. 4-hydroxy-17beta-estradiol : A 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4.	2	1	0	4-hydroxy steroid	metabolite
triprolidine Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.. triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.	2.07	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
pitavastatin pitavastatin : A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.	2.06	1	0	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant
9,11-linoleic acid 9,11-linoleic acid: a conjugated dienoic linoleate (CLA); RN given refers to cpd without isomeric designation in Chemline. (9E,11E)-octadecadienoic acid : An octadeca-9,11-dienoic acid having 9-trans,11-trans-stereochemistry.	2.07	1	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.	1.97	1	0	thromboxanes B	human metabolite; mouse metabolite
1-monooleoyl-rac-glycerol Peceol: lipid excipient containing readily dispersible mixture of mono- & diglycerides of oleic acid. 1-oleoylglycerol : A 1-monoglyceride where the acyl group is oleoyl.. monooleoylglycerol : A monoglyceride in which the acyl group is oleoyl with the position of acylation unspecified.	1.99	1	0	1-acylglycerol 18:1; monooleoylglycerol	plant metabolite
1-palmitoyl-2-oleoylglycero-3-phosphoserine {1-O-hexadecanoyl-2-O-[(Z)-octadec-9-enoyl]-sn-glycero-3-phospho}serine : A 3-sn-phosphatidyl-L-serine compound with a palmitoyl group at the 1-position and an oleoyl group at the 2-position.	2.03	1	0	3-sn-phosphatidyl-L-serine
ubiquinone 8 [no description available]	2.55	2	0	ubiquinones	biomarker
menaquinone 6 menaquinone 6: RN given refers to (all-E)-isomer	5.68	5	1
codeine [no description available]	3.46	7	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
methyl linoleate [no description available]	1.94	1	0	fatty acid methyl ester	plant metabolite
phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.	7.02	9	1	hydrochloride
acrivastine acrivastine: a second generation antihistamine. acrivastine : A member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis.	2.07	1	0	alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
dorzolamide dorzolamide: topically effective ocular hypotensive carbonic anhydrase inhibitor; RN refers to mono-HCl (4S-trans)-isomer. dorzolamide : 5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.	2.13	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
hydrocodone Hydrocodone: Narcotic analgesic related to CODEINE, but more potent and more addicting by weight. It is used also as cough suppressant.. hydrocodone : A morphinane-like compound that is a semi-synthetic opioid synthesized from codeine.	6.95	1	0	morphinane-like compound; organic heteropentacyclic compound	antitussive; mu-opioid receptor agonist; opioid analgesic
hydromorphone Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine.. hydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.	6.95	1	0	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic
nalorphine Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.	1.94	1	0	morphinane alkaloid
oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.	2.25	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
vitamin k 1 Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.	2.57	2	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	4.99	2	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
menaquinone 7 menaquinone-7 : A menaquinone whose side-chain contains seven isoprene units in an all-trans-configutation.	5.01	2	1	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	3.61	9	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
pactamycin Pactamycin: Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis.	2.17	1	0
ubiquinone 7 ubiquinone 7: RN given refers to (all-E)-isomer. ubiquinone-7 : A compound whose structure comprises a 2,3-dimethoxy-5-methylbenzoquinone nucleus, common to ubiquinones; and a side chain of seven isoprenoid units.	2.25	1	0	ubiquinones
benzphetamine Benzphetamine: A sympathomimetic agent with properties similar to DEXTROAMPHETAMINE. It is used in the treatment of obesity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1222). benzphetamine : Dextroamphetamine in which the the hydrogens attached to the amino group are substituted by a methyl and a benzyl group. A sympathomimetic agent with properties similar to dextroamphetamine, it is used as its hydrochloride salt in the treatment of obesity.	2.06	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
lysophosphatidylcholines lysophosphatidylcholine : An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl.	3.14	5	0	1-O-acyl-sn-glycero-3-phosphocholine
magnesium trisilicate magnesium trisilicate: RN given refers to parent cpd	3.83	3	0
cytochalasin b Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.	2.11	1	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
sulfenamide sulfenamide: structure in first source	2.08	1	0
octadecadienoic acid octadecadienoic acid: location of unsaturation not specified. octadecadienoate : A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3.. octadecadienoic acid : Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds.	2.5	2	0
1,2-oleoylphosphatidylcholine 1,2-oleoylphosphatidylcholine: RN given refers to (Z,Z)-isomer. dioleoyl phosphatidylcholine : A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl.	3.59	8	0	phosphatidylcholine(1+)
licochalcone a licochalcone A: has both anti-inflammatory and antineoplastic activities; structure given in first source; isolated from root of Glycyrrhiza inflata; RN given refers to (E)-isomer	2.6	1	0	chalcones
ligustilide ligustilide: found in Umbelliferae plants; RN given refers to cpd without isomeric designation; structure in first source	2.53	2	0	butenolide	metabolite
neoisoliquiritin neoisoliquiritin: inhibits angiogenesis; isolated from licorice root; isoliquiritin is the (E)-isomer; structure in first source; isoliquiritin is also available	2.03	1	0	flavonoids; glycoside
spiraeoside spiraeoside: from flowers of Filipendula ulmaria (L.); structure given in first source. quercetin 4'-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'.	2.21	1	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
acetaldehyde oxime acetaldehyde oxime: structure. (E)-acetaldehyde oxime : The (E)-stereoisomer of acetaldehyde oxime.. acetaldehyde oxime : An aldoxime derived from acetaldehyde.	2.63	3	0	acetaldehyde oxime
thebaine Thebaine: A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed)	2.31	1	0	morphinane alkaloid; organic heteropentacyclic compound
casein kinase ii Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression.	2.1	1	0
su 11248 [no description available]	2.88	3	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
sclareolide sclareolide: has antineoplastic activity; synthesized by oxidation of sclareol; a minor constituent of Arnica angustifolia and Sideritis nutans; structure in first source	2.06	1	0
fosbretabulin fosbretabulin: a microtubule destabilizing agent isolated from Combretum caffrum; structure in first source	2.83	3	0
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	10.15	130	2	carbon group element atom; elemental lead; metal atom	neurotoxin
tin [no description available]	10.54	21	0	carbon group element atom; elemental tin; metal atom	micronutrient
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	2.5	2	0	1,1'-azobis(N,N-dimethylformamide)
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.	4.25	16	0	metalloid atom; pnictogen
cesium Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency.	10.1	14	0	alkali metal atom
barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.	8.5	8	0	alkaline earth metal atom; elemental barium
oleylamine oleylamine: promotes fusion of mouse A(9) fibroblasts; RN given refers to parent cpd with unspecified isomeric designation; structure	2.1	1	0
muconic acid muconic acid: a metabolite of benzene; reported to be a reliable indicator of occupational exposure to benzene; structure given in first source. trans,trans-muconic acid : The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene.. muconic acid : A hexadienedioic acid with unsaturation at positions 2 and 4.	3.31	1	0	muconic acid	biomarker; human xenobiotic metabolite
triphenyltin triphenyltin: triphenyltin derivatives widely used as pesticides; all of first source is triphenyltin cpds	2.21	1	0
rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells.	3.1	5	0	alkali metal atom
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	5.67	74	0	boron group element atom; elemental aluminium; metal atom
6-chloropurine [no description available]	2.02	1	0	purines
strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62.	8.66	9	0	alkaline earth metal atom
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	12.89	32	1	metal atom; pnictogen
levallorphan Levallorphan: An opioid antagonist with properties similar to those of NALOXONE; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683)	1.94	1	0	morphinane alkaloid
thallium Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot).	3.26	6	0	boron group element atom
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	9.95	77	1	metalloid atom; pnictogen	micronutrient
manganite [no description available]	2.07	1	0
indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum.	4.41	20	0	boron group element atom
calcium bromide calcium bromide: can cause skin injuries	2.04	1	0	calcium salt
lasalocid Lasalocid: Cationic ionophore antibiotic obtained from Streptomyces lasaliensis that, among other effects, dissociates the calcium fluxes in muscle fibers. It is used as a coccidiostat, especially in poultry.. lasalocid : A polyether antibiotic used for prevention and treatment of coccidiosis in poultry.	5.56	5	1	beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol	bacterial metabolite; coccidiostat; ionophore
gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.	5.84	28	0	boron group element atom
lisinopril Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.	2.17	1	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	13.01	252	1	chalcogen; nonmetal atom	macronutrient
methylazoxymethanol acetate Methylazoxymethanol Acetate: The aglycone of CYCASIN. It acts as a potent carcinogen and neurotoxin and inhibits hepatic DNA, RNA, and protein synthesis.	1.95	1	0	azoxy compound
geldanamycin [no description available]	2.08	1	0
methyl oleate [no description available]	2.49	2	0	fatty acid methyl ester
monocrotophos Monocrotophos: An organophosphate insecticide that inhibits monoamine oxidase and acetylcholinesterase. It has been shown to be genotoxic.. monocrotophos : An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate.	2.21	1	0	alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide	acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
isoalloxazine isoalloxazine: structure	2.05	1	0	benzo[g]pteridine-2,4-dione
1,2-bis(2-pyridyl)ethylene 1,2-bis(2-pyridyl)ethylene: a drug metabolizing enzyme inducer	2.08	1	0
vitamin mk 8 vitamin MK 8: isoprenoid acetone-soluble lipid. menaquinone-8 : A menaquinone whose side-chain contains 8 isoprene units in an all-trans-configuration.	2.5	2	0	menaquinone	Escherichia coli metabolite; human metabolite
puerarin [no description available]	2.1	1	0	C-glycosyl compound; isoflavonoid
sinomenine sinomenine: isolated from root of Sinomenium acutum; antirheumatic, antineuralgic	2.03	1	0	morphinane alkaloid
dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).	3.54	8	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
6'-hydroxycinchonidine 6'-hydroxycinchonidine: urinary quinine metabolite; cpd is O-demethylquinine; RN given refers to (8 alpha,9R)-isomer; O-demethylquinidine refers to (9S)-isomer; structure in first source	1.96	1	0	cinchona alkaloid
formylmethanofuran formylmethanofuran: proposed as intermediate in reduction of CO2 to methane	2.39	2	0	pentacarboxylic acid
fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)	9.1	35	4	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
beryllium Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4.	5.18	3	1	alkaline earth metal atom; elemental beryllium; metal allergen	adjuvant; carcinogenic agent; epitope
astatine Astatine: Astatine. A radioactive halogen with the atomic symbol At, and atomic number 85. Its isotopes range in mass number from 200 to 219 and all have an extremely short half-life. Astatine may be of use in the treatment of hyperthyroidism because it emits ALPHA PARTICLES.	2.03	1	0	elemental astatine
acetyl acetonate [no description available]	2.13	1	0
pyrrolysine pyrrolysine: encoded by a stop codon in archaea. L-pyrrolysine : A N(6)-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N(6)-acyl group.. pyrrolysine : An N-acyl-amino acid that is lysine in which one of the amino nitrogens at position N6 is replaced by a 3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl group.	4.92	4	0	amino acid zwitterion; N(6)-acyl-L-lysine; proteinogenic amino acid; pyrrolysine
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	9.05	81	1	cysteinium	fundamental metabolite
isophthalate isophthalate: RN given refers to parent cpd	2.42	2	0	dicarboxylic acid dianion
silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].	9.54	213	0	carbon group element atom; metalloid atom; nonmetal atom
7-mercaptoheptanoylthreonine phosphate 7-mercaptoheptanoylthreonine phosphate: component B of the methylcoenzyme M methylreductase system of Methanobacterium thermoautotrophicum; structure given in first source	6.79	26	0	L-threonine derivative	coenzyme
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	11.61	188	2	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.	8.3	66	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
heroin Heroin: A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed). heroin : A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses.	2.05	1	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source	4.03	13	0
irigenin irigenin: a phytoestrogen derived from Belamcanda chinensis with an antiproliferative effect on prostate cancer cells in vitro. irigenin : A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively.	2.21	1	0	4'-methoxyisoflavones; hydroxyisoflavone	plant metabolite
demethoxycurcumin demethoxycurcumin: corresponds to curcumin with one methoxy group replaced by hydrogen; isolated from rhizomes of Curcuma longa. demethoxycurcumin : A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior.	2.17	1	0	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite
kendomycin kendomycin: structure in first source	2.48	2	0	benzofurans
direct yellow-12 direct yellow-12: structure in first source	2.05	1	0
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	2.04	1	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
phytochlorin phytochlorin: RN given refers to (2S-trans)-isomer; structure given in the first source	2.58	2	0
cefepime Cefepime: A fourth-generation cephalosporin antibacterial agent that is used in the treatment of infections, including those of the abdomen, urinary tract, respiratory tract, and skin. It is effective against PSEUDOMONAS AERUGINOSA and may also be used in the empiric treatment of FEBRILE NEUTROPENIA.. cefepime : A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	5.09	1	1	cephalosporin; oxime O-ether	antibacterial drug
hr 810 cefpirome: structure in first source. cefpirome : A fourth-generation cephalosporin antibiotic having 6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.	2.06	1	0	cephalosporin; cyclopentapyridine
strontium radioisotopes Strontium Radioisotopes: Unstable isotopes of strontium that decay or disintegrate spontaneously emitting radiation. Sr 80-83, 85, and 89-95 are radioactive strontium isotopes.	1.95	1	0
n,n-dimethylalanine N,N-dimethyl-L-alanine : A methyl-L-alanine in which both the amino hydrogens of L-alanine are replaced by methyl groups.	2.02	1	0	methyl-L-alanine
triolein Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil.	2.73	3	0	triglyceride	Caenorhabditis elegans metabolite; plant metabolite
epicinchonine epicinchonine: structure in first source. cinchonine : Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis.	2.02	1	0	cinchona alkaloid
resiniferatoxin resiniferatoxin: phorbol related diterpene ester; potent agonist of vanilloid TRPV1 receptors. resiniferatoxin : A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C37H40O9. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1).	2.08	1	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.	2.46	2	0	2-trans-abscisic acid
3,3'-dihexyl-2,2'-oxacarbocyanine 3,3'-dihexyl-2,2'-oxacarbocyanine: a fluorescent probe	2.03	1	0
carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials.	3.58	8	0	cyanine dye; organic iodide salt	fluorochrome
cinidon-ethyl Lotus: A genus of the PEA FAMILY. The genus Lotus, formerly known as Tetragonolobus, is unrelated to other plants with the common name of lotus (NELUMBO and NYMPHAEA).. cinidon ethyl : A carboxylic ester and organochlorine compound that is the ethyl ester of cinidon.	4.26	5	0	ethyl ester; isoindoles; monochlorobenzenes	herbicide
zearalenol zearalenol: RN given refers to (3S-(3R,7S,11E))-isomer	2.51	2	0
ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.	9.06	15	0	ammonium salt; inorganic sulfate salt	fertilizer
bisabolol bisabolol: monocyclic sesquiterpene alcohol with strong bacteriocidal effects, especilly against M. Tuberc.; isolated from seed plant Populus tacamacaha; RN given refers to cpd without isomeric desigation	2.17	1	0
barium titanate(iv) barium titanate(IV): RN given refers to parent cpd	2.55	2	0
ma-1 tipiracil: inhibits thymidine phosphorylase. tipiracil : A member of the class of pyrimidones that is uracil substituted by chloro and (2-iminopyrrolidin-1-yl)methyl groups at positions 5 and 6 respectively. Used (as the hydrochloride salt) in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer.	5.09	1	1	carboxamidine; organochlorine compound; pyrimidone; pyrrolidines	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor
coomassie brilliant blue [no description available]	2.03	1	0
tetrodotoxin Tetrodotoxin: An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order TETRAODONTIFORMES, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction.. tetrodotoxin : A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.	7.89	4	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63.	5.18	14	0	carbon group element atom; metalloid atom; nonmetal atom
selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.	12.87	32	1	chalcogen; nonmetal atom	micronutrient
selenocysteine Selenocysteine: A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid.. selenocysteine : An alpha-amino acid that consists of alanine where one of the methyl hydrogens is substituted with a seleno group.	3.55	2	0
methaneselenol methaneselenol: RN given refers to (75)Se-labeled cpd. methylselenol : An organoselenium compound that is a selenium analogue of methanol, comprising a methyl group covalently bound to a selenol group.	2.21	1	0
dimethyl hydrogen phosphite dimethyl hydrogen phosphite: intermediate in production of insecticides or herbicides	2.05	1	0
tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression.	4.72	27	0	chalcogen; metalloid atom
boron oxide boron oxide: RN given refers to B2O3	2.75	3	0	boron oxide
polonium Polonium: A radioactive element that is a member of the chalcogen family. It has the atomic symbol Po, atomic number 84, and the atomic weight of the isotope with the longest half-life (209Po) is 208.98. It decays by alpha-emission.. polonium atom : A radioactive metallic element discovered in 1898 by Marie Sklodowska Curie and named after her home country, Poland (Latin Polonia).	2.89	4	0	chalcogen; metal atom
radium Radium: A radioactive element of the alkaline earth series of metals. It has the atomic symbol Ra and atomic number 88. Radium is the product of the disintegration of URANIUM and is present in pitchblende and all ores containing uranium. It is used clinically as a source of beta and gamma-rays in radiotherapy, particularly BRACHYTHERAPY.	2.89	3	0	alkaline earth metal atom
bismuth oxychloride bismuth oxychloride: active against rotaviruses and enteric viruses	2.41	1	0
oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.	5.09	8	0
clinoptilolite clinoptilolite: clinoptilolite was SY to zeolite (NM); use zeolites (NM) to search through 1993; RN is for cpd with unknown MF	2.87	3	0
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid Fluvastatin: An indole-heptanoic acid derivative that inhibits HMG COA REDUCTASE and is used to treat HYPERCHOLESTEROLEMIA. In contrast to other statins, it does not appear to interact with other drugs that inhibit CYP3A4.. (3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have S configuration.. fluvastatin : A racemate comprising equimolar amounts of (3R,5S)- and (3S,5R)-fluvastatin. An HMG-CoA reductase inhibitor, it is used (often as the corresponding sodium salt) to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia.	2.05	1	0	(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
diacetylmonoxime diacetylmonoxime: used diagnostically for determining urea in blood; structure; myosin ATPase antagonist. diacetylmonoxime : A ketoxime obtained via formal condensation of butane-2,3-dione with hydroxylamine. It is a reversible myosin ATPase inhibitor.	2.5	2	0
antimycin a Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.	1.95	1	0	amidobenzoic acid
pyrachlostrobin pyraclostrobin : A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres.	2.21	1	0	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
dichlorocarbene [no description available]	2.04	1	0	carbene
calcium fumarate [no description available]	9.41	2	2
bambermycins Bambermycins: Antibiotic complex obtained from Streptomyces bambergiensis containing mainly Moenomycins A and C. They are used as feed additives and growth promoters for poultry, swine, and cattle.	2.15	1	0
1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer	2.83	3	0
nitrocefin nitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source	2.11	1	0
bafilomycin a1 bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.	2.1	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
1-oleoyl-2-acetylglycerol [no description available]	2.05	1	0	1,2-diglyceride
pumiliotoxin b pumiliotoxin B: saturated indolizidine alkaloid from skin of panamanian frog Dendrobates pumilio; see also records for pumiliotoxin A, pumiliotoxin C & pumiliotoxins	2.21	1	0
1,2-dioleoyloxy-3-(trimethylammonium)propane 1,2-dioleoyloxy-3-(trimethylammonium)propane: fluorescent probe for phospholipids; RN & structure given in first source	2.13	1	0
cyanoginosin-la cyanoginosin-LA: from cyanobacterium Microcystis aeruginosa	2.03	1	0	peptide
dioleoyl phosphatidylethanolamine dioleoyl phosphatidylethanolamine: chemical name in article is incorrect - phosphatidylethandamine instead of phosphatidylethanolamine. dioleoyl phosphatidylethanolamine : A phosphatidylethanolamine in which the phosphatidyl acyl groups are both oleoyl.	2.25	1	0	phosphatidylethanolamine
piericidin a piericidin A: pyridine-substituted fatty alcohol antibiotic; minor descriptor (75-85); on-line & Index Medicus search ANTIBIOTICS (75-85); RN given refers to (S-(R,R-(all-E)))-isomer. piericidin A : A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase	2.03	1	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
sphingosine phosphorylcholine sphingosine phosphorylcholine: a wound healing agent	2	1	0
concanamycin a concanamycin A: from Streptomyces diastatochromogenes S-45; inhibits vacuolar H+ ATPase. concanamycin A : A concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group.	2.08	1	0	carbamate ester; concanamycin	antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite
corrin corrin : A tetrapyrrole fundamental parent that is the core macrocycle of vitamin B12.	7.25	1	0
thiazole orange thiazole orange: structure given in first source. thiazole orange : A cyanine dye comprising the thiazole orange cation [1-methyl-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium] with the p-tosylate counterion.	7.11	1	0	cyanine dye	fluorochrome
microcystin rr microcystin RR: structure given in first source; isolated cyanobacterium	2.03	1	0	microcystin; organic molecular entity	bacterial metabolite; environmental contaminant; xenobiotic
ganglioside gm3 lactone ganglioside GM3 lactone: structure given in first source	2.17	1	0
bacteriochlorophylls Bacteriochlorophylls: Pyrrole containing pigments found in photosynthetic bacteria.	1.97	1	0
bifenthrin bifenthrin: a type I pyrethroid. bifenthrin : A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol.. kappa-bifenthrin : A carboxylic ester obtained by formal condensation of the carboxy group of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of [(2-methyl-1,1'-biphenyl)-3-yl]methanol.	2.41	1	0	carboxylic ester; cyclopropanecarboxylate ester; cyclopropanes; organochlorine compound; organofluorine compound	pyrethroid ester acaricide; pyrethroid ester insecticide
hydroxysafflor yellow a hydroxysafflor yellow A: from Carthamus tinctorius; structure given in first source. hydroxysafflor yellow A : A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius).	2.6	1	0
chlorophyll chlorophyll a': RN refers to (SP-4-2-(3S-(3alpha(2E,7S,11S),4beta,21alpha)))-isomer	2.11	1	0
cdw17 antigen [no description available]	1.99	1	0
ganglioside, gd2 [no description available]	2.05	1	0
axitinib [no description available]	4.61	1	1	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
prothioconazole prothioconazole: a fungicide. prothioconazole : A racemate comprising equal amounts of (R)- and (S)-prothioconazole. A fungicide for use both as a seed treatment and foliar spray to treat a variety of diseases in cereals.. 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione : A member of the class of triazoles that is 1,2,4-triazole-3-thione substituted at position 2 by a 2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl group.	2.41	1	0	cyclopropanes; monochlorobenzenes; tertiary alcohol; thiocarbonyl compound; triazoles
manganese phosphate manganese phosphate: a reddish-white fine crystalline powder relatively insoluble in water	2.21	1	0
beta-escin [no description available]	8.39	30	1
s-nitroso-n-acetylpenicillamine S-Nitroso-N-Acetylpenicillamine: A sulfur-containing alkyl thionitrite that is one of the NITRIC OXIDE DONORS.	3.62	2	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.	2.76	2	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
lactacystin [no description available]	2.02	1	0	lactam; S-substituted L-cysteine
nifurtimox Nifurtimox: A nitrofuran thiazine that has been used against TRYPANOSOMIASIS.	1.97	1	0	nitrofuran antibiotic
gadolinium dtpa Gadolinium DTPA: A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see PENTETIC ACID), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)	2.83	3	0	gadolinium coordination entity	MRI contrast agent
morphinans Morphinans: Compounds based on a partially saturated iminoethanophenanthrene, which can be described as ethylimino-bridged benzo-decahydronaphthalenes. They include some of the OPIOIDS found in PAPAVER that are used as ANALGESICS.	2.03	1	0	isoquinoline alkaloid fundamental parent; morphinane alkaloid
ergoline Ergolines: A series of structurally-related alkaloids that contain the ergoline backbone structure.. ergoline : An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.	3.33	1	1	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
carboxyl radical [no description available]	3.71	9	0	carbon oxide; organic radical anion	xenobiotic metabolite
platensimycin platensimycin: has antidiabetic and antisteatotic activities; a pentacyclic ketolide (structurally similar to adamantane) connected by an amide bond to 3-amino-2,4-dihydroxybenzoic acid; inhibits cellular lipid biosynthesis; discovered while screening compounds from Streptomyces platensis bacteria in a South African soil sample with S. aureus bacteria deficient in FabF protein; structure in first source. platensimycin : A monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase.	3.56	2	0	aromatic amide; cyclic ether; cyclic ketone; dihydroxybenzoic acid; monocarboxylic acid amide; polycyclic cage	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor
rebaudioside a rebaudioside A: glucoside isolated from the leaves of the paraguayan shrub, Stevia rebaudiana; has taste properties superior to stevioside; structure in first source. rebaudioside A : A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside.	2.76	2	0	beta-D-glucoside; rebaudioside; tetracyclic diterpenoid	sweetening agent
bornyl acetate [no description available]	2.07	1	0	acetate ester; monoterpenoid
bromopyruvate [no description available]	2.5	2	0	2-oxo monocarboxylic acid anion
lysylglycine lysylglycine: structure in first source. Lys-Gly : A dipeptide formed from L-lysine and glycine residues.	2.13	1	0	dipeptide	metabolite
staurosporine staurosporinium : Conjugate acid of staurosporine.	2.06	1	0	ammonium ion derivative
phosphocreatine Phosphocreatine: An endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1996). phosphagen : Any of a group of guanidine or amidine phosphates that function as storage depots for high-energy phosphate in muscle with the purpose of regenerating ATP from ADP during muscular contraction.. N-phosphocreatine : A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group.	2	1	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	2.02	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
furaltadon furaltadon: structure; RN given refers to parent cpd without isomeric designation. furaltadone : An oxazolidinone that is 1,3-oxazolidin-2-one substituted at position 1 by a (5-nitro-2-furyl)methylene]amino group and at position 5 by a morpholin-4-ylmethyl group. An antibacterial formerly used oraly but withdrawn due to toxicity, it is used topically (as the hydrochloride salt) for treatment of ear disorders.	2.1	1	0
mannich bases Mannich Bases: Ketonic amines prepared from the condensation of a ketone with formaldehyde and ammonia or a primary or secondary amine. A Mannich base can act as the equivalent of an alpha,beta unsaturated ketone in synthesis or can be reduced to form physiologically active amino alcohols.	2.47	2	0
formazans Formazans: Colored azo compounds formed by the reduction of tetrazolium salts. Employing this reaction, oxidoreductase activity can be determined quantitatively in tissue sections by allowing the enzymes to act on their specific substrates in the presence of tetrazolium salts.	2.45	2	0
aldicarb sulfoxide aldicarb sulfoxide: metabolite of aldicarb	2.1	1	0
aldicarb Aldicarb: Carbamate derivative used as an insecticide, acaricide, and nematocide.. aldicarb : The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active.	2.1	1	0
aldicarb sulfone aldicarb sulfone: metabolite of aldicarb	2.1	1	0	sulfone
gemifloxacin Gemifloxacin: A naphthyridine and fluoroquinolone derivative antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used for the treatment of community-acquired pneumonia and acute bacterial infections associated with chronic bronchitis.. gemifloxacin : A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.	2.06	1	0	1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor
ferrihydrite ferric oxyhydroxide: an antiferromagnetic material; constitutes the core of natural ferritin; mol form 5Fe2O3.9H2O	5.65	22	0
ammonium hexafluorophosphate [no description available]	2.25	1	0
disilver oxide [no description available]	2.95	4	0
desvenlafaxine succinate Desvenlafaxine Succinate: A cyclohexanol and phenol derivative and metabolite of venlafaxine that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT.	2.13	1	0
neotame neotame: structure in first source. neotame : A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage.	2.11	1	0	dipeptide	environmental contaminant; sweetening agent; xenobiotic
sacubitril [no description available]	2.25	1	0	biphenyls
lenvatinib lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.	4.9	1	1	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
flonicamid flonicamid: an insecticide; structure in first source. flonicamid : A pyridinecarboxamide that is nicotinamide substituted by a trifluoromethyl group at position 4 and a cyanomethyl group at the carbamoyl nitrogen atom.	2.21	1	0	nitrile; organofluorine compound; pyridinecarboxamide	environmental contaminant; insecticide; xenobiotic
gambogic acid gambogic acid: RN given refers to (1R-(1alpha,1(Z),3abeta,5alpha,11beta,14aS*))-isomer	2.1	1	0	pyranoxanthones	metabolite
4-anisyltetrazolium blue tetrazolium blue : An organic chloride salt having tetrazolium blue(1+) as the counterion.	2.1	1	0	organic chloride salt	dye
pentagastrin Pentagastrin: A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid.	1.95	1	0	organic molecular entity
gc 1 compound GC 1 compound: structure in first source	2.31	1	0	diarylmethane
ferrous phosphate [no description available]	2.86	3	0
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	7.98	59	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
ticagrelor Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome.	9.77	2	2	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
lipid a Lipid A: Lipid A is the biologically active component of lipopolysaccharides. It shows strong endotoxic activity and exhibits immunogenic properties.. lipid A : The glycolipid moiety of bacterial lipopolysaccharide (R can be either hydrogen or a fatty acyl group).	1.98	1	0	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
ginsenoside rb1 [no description available]	2.15	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger
ginsenoside rg3 ginsenoside Rg3: from Red ginseng; inhibits lung metastasis of tumor cells; structure given in first source. (20S)-ginsenoside Rg3 : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.	2.41	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite
sorbitan monooleate [no description available]	4.61	1	1	fatty acid ester
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	4.57	1	1	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
zeolites [no description available]	11.26	108	2
pitolisant pitolisant: functions as both inverse agonist and antagonist of histamine H3 receptors; structure in first source	4.61	1	1	organochlorine compound
tetramethylrhodamine tetramethylrhodamine: RN given refers to perchlorate; structure	2.15	1	0	xanthene dye
ubiquinol ubiquinol: reduced forms of ubiquinone; see also record for ubiquinol 10. ubiquinol-10 : A ubiquinol in which the polyprenyl substituent is decaprenyl.	2.31	1	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.	2.4	2	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
hippuristanol hippuristanol: from the gorgonian Isis hippuris	2.31	1	0
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	8.66	123	1
hypaconitine hypaconitine: RN given refers to the (1alpha,6alpha,14alpha,15alpha,16beta)-isomer	2.07	1	0
3-nitrooxypropanol 3-nitrooxypropanol: structure in first source	7.89	26	7
goniothalesdiol goniothalesdiol: from Goniothalamus (Annonaceae); structure in first source	2.06	1	0	glycoside
methionine sulfoxide methionine sulfoxide: RN given refers to cpd without isomeric designation. L-methionine (R)-S-oxide : The (R)-oxido diastereomer of L-methionine S-oxide.	2.06	1	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
phosphoramidite phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid.	2.75	3	0
frondosin b frondosin B: from sponge Dysidea frondosa; structure in first source	2.15	1	0
tribulus Tribulus: A plant genus of the family ZYGOPHYLLACEAE. Members contain steroidal saponins. Ingestion by grazing animals causes PHOTOSENSITIVITY DISORDERS called geeldikkop (yellow thick head) in South Africa.	2.75	3	0
fluorapatite fluorapatite: RN refers to fluorapatite [Ca5F(PO4)3]). apatite : A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl.. fluorapatite : A phosphate mineral with the formula Ca5(PO4)3F.	2.1	1	0
struvite Struvite: The mineral magnesium ammonium phosphate with the formula NH4MgPO4. It is associated with urea-splitting organisms in a high magnesium, high phosphate, alkaline environment. Accumulation of crystallized struvite is found in the urinary tract as struvite CALCULI and as scale on sewage system equipment and wastewater pipes.	3.34	6	0	hydrate; phosphate mineral	fertilizer
alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection.	4.77	7	0
ngr peptide [no description available]	3.18	5	0
11-amino-1-undecanethiol 11-amino-1-undecanethiol: structure in first source	2.46	2	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	3.4	7	0
1-methyl-3-octylimidazolium bromide 1-methyl-3-octylimidazolium bromide: showed developmental toxicity on Daphnia magna	2.11	1	0
brevetoxin b brevetoxin B: from dinoflagellate Gymnodinium breve	2.05	1	0	ciguatoxin
ribose ribopyranose : The pyranose form of ribose.	4.18	5	0	D-ribose; ribopyranose
molybdenum carbide molybdenum carbide: catalyst for the hydrodeoxygenation of vegetable oils	4.31	5	0
acebutolol alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration.	5.64	5	1	alpha-D-glucosyl-(1->4)-D-mannopyranose
pentalenene pentalenene: structure in first source	2	1	0	ortho-fused tricyclic hydrocarbon; sesquiterpene
lactulose Lactulose: A synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887). lactulose : A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy.	13.13	65	15
horsfiline horsfiline: structure in first source	7.1	1	0
streptogramin b Streptogramin B: A specific streptogramin group B antibiotic produced by Streptomyces graminofaciens and other bacteria.. pristinamycin IA : A cyclodepsipeptide that is (together with pristinamycin IIA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bactericidal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus.	2.04	1	0	cyclodepsipeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
dimethylarsinoylacetic acid dimethylarsinoylacetic acid: arsenobetaine degradation product; structure in first source	2.02	1	0
regorafenib [no description available]	5.09	1	1	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
abt-737 [no description available]	2.15	1	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
phenylnitrene [no description available]	7.3	16	0
pnu-282987 [no description available]	2.04	1	0
cardanol cardanol: from pink pepper; phenol with hydrocarbon side chain which can vary in length & unsaturation	2.25	1	0	phenols
cvt-6883 3-ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione: structure in first source	2.21	1	0
1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene: structure in first source	2.75	3	0
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2.55	2	0	nystatins
pirarubicin [no description available]	2.07	1	0	anthracycline
2-(2-hydroxyethoxy)ethyl methacrylate 2-(2-hydroxyethoxy)ethyl methacrylate: structure in first source	2.04	1	0
cryptophane a cryptophane A: cryptophane organic host molecules constructed from two cyclotriguaiacylene (CTG) units connected by three alkane linkers, possess a hydrophobic cavity that can encapsulate a wide variety of guests; structure in first source	7.06	1	0
3,4-dimethylpyrazole phosphate 3,4-dimethyl-1H-pyrazole phosphate : A phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields.	2.15	1	0	phosphate salt	nitrification inhibitor
zampanolide zampanolide: structure in first source	2.04	1	0
lamellarin alpha lamellarin alpha: antioxidant from the Indian ascidian Didemnum obscurum; structure in first source	2.41	1	0
cyflumetofen cyflumetofen: acaricide; structure in first source. cyflumetofen : A racemate comprising equimolar amounts of (R)- and (S)-cyflumetofen. A proacaricide (via ester hydrolysis and subsequent decarboxylation), it is used to control phytophagous mites at all development stages in a variety of fruit crops. It acts as an inhibitor of complex II of mitochondrial electron transport chain.. 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate : A nitrile that is acetonitrile in which the methyl hydrogens have been replaced by o-trifluoromethylbenzoyl, p-tert-butylphenyl, and (2-methoxyethoxy)carbonyl groups.	2.08	1	0	(trifluoromethyl)benzenes; 2-methoxyethyl ester; beta-ketoester; nitrile
fluensulfone fluensulfone: a nematicide; structure in first source. fluensulfone : A member of the class of 1,3-thiazoles carrying 3,4,4-trifluorobut-3-ene-1-sulfonyl and chloro substituents at positions 2 and 5 respectively. A nematicide that is effective against a number of plant parasitic nematodes in a range of agricultural and horticultural crops.	2.6	1	0	1,3-thiazoles; olefinic compound; organochlorine pesticide; organofluorine pesticide; sulfone	agrochemical; nematicide
liphagal liphagal: selective inhibitor of PI3 kinase alpha isolated from the sponge akacoralliphaga; structure in first source. liphagal : A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase.	2.15	1	0	aldehyde; cyclic ether; meroterpenoid; organic heterotetracyclic compound; polyphenol	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; metabolite
glyoxamide glyoxamide : The simplest of the class of glyoxamides, with no substitution on nitrogen.	2.04	1	0	glyoxamides
1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide: structure in first source	2.17	1	0
losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.	4.21	5	0
portmicin portmicin: from Nocardiopsis; structure given in first source	2.07	1	0
glycyl-prolyl-hydroxyproline glycyl-prolyl-hydroxyproline: the main component of the mixture of collagen type I degradation products	2.06	1	0	oligopeptide
granite granite: crystalline rock of quartz, orthoclase, muscovite & biotite	8.22	5	0	triazolopyrimidines
imidazolone imidazolone: a reaction product of arginine with 3-deoxyglucosone which markedly accumulates in uremic serum; structure in first source	2.08	1	0	organonitrogen heterocyclic compound
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc Sialyl Lewis X Antigen: A sialylated version of Lewis X antigen expressed on cell surfaces. It is a ligand for SELECTINS.. alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc : A branched amino tetrasaccharide consisting of a sialyl residue, linked (2->3) to a galactosyl residue that in turn is linked (1->4) to a glucosaminyl residue, which is also carrying a fucosyl residue at the 3-position.	2.02	1	0	amino tetrasaccharide; glucosamine oligosaccharide	epitope
corannulene corannulene: structure in first source	2.76	3	0
bacteriochlorophylls Bacteriochlorophyll A: A specific bacteriochlorophyll that is similar in structure to chlorophyll a.. bacteriochlorophyll : Chlorophylls of photosynthetic bacteria.	2.03	1	0	bacteriochlorophyll; methyl ester
telomestatin telomestatin: isolated from Spreptomyces anulatus; structure in first source	2.06	1	0
dextrothyroxine [no description available]	2.15	1	0
ferryl iron [no description available]	2.49	2	0
sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages.	3.81	10	0
indocyanine green Indocyanine Green: A tricarbocyanine dye that is used diagnostically in liver function tests and to determine blood volume and cardiac output.	5.29	9	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
scopolamine hydrobromide [no description available]	3.33	1	1
copper oxychloride [no description available]	2.6	1	0
pituitrin Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR).	2.89	4	0
thiosuccinic acid thiosuccinic acid: inhibits fibrinolysin	2.11	1	0
5-ethoxycarbonyl-5-methyl-1-pyrroline n-oxide 5-ethoxycarbonyl-5-methyl-1-pyrroline N-oxide: structure in first source	2.06	1	0
n-butylpyridinium [no description available]	2.05	1	0
coerulescine coerulescine: structure in first source	7.1	1	0
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.48	2	0
enerbol Life: The state that distinguishes organisms from inorganic matter, manifested by growth, metabolism, reproduction, and adaptation. It includes the course of existence, the sum of experiences, the mode of existing, or the fact of being. Over the centuries inquiries into the nature of life have crossed the boundaries from philosophy to biology, forensic medicine, anthropology, etc., in creative as well as scientific literature. (Random House Unabridged Dictionary, 2d ed; Dr. James H. Cassedy, NLM History of Medicine Division)	4.94	11	0
rifamycins [no description available]	8.47	8	5
titanocene titanocene: C10-H10-Ti. titanocene : A bis(eta(5)-cyclopentadienyl)metal(II) having Ti(II) as the metal(II) species. The parent of the class of titanonocenes.	2.53	2	0
vpm chloride VPM chloride: structure given in first source	3.41	1	0
diborane diborane: reduces heterocyclic cpds. diborane : Boranes containing only two B atoms, linked either directly by a B-B bond or via hydrogen bridging atoms.	2.42	2	0
clove Madagascar: One of the Indian Ocean Islands off the southeast coast of Africa. Its capital is Antananarivo. It was formerly called the Malagasy Republic. Discovered by the Portuguese in 1500, its history has been tied predominantly to the French, becoming a French protectorate in 1882, a French colony in 1896, and a territory within the French union in 1946. The Malagasy Republic was established in the French Community in 1958 but it achieved independence in 1960. Its name was changed to Madagascar in 1975. (From Webster's New Geographical Dictionary, 1988, p714)	2.15	1	0
1,4-dihydroquinoline 1,4-dihydroquinoline: structure in first source	2.1	1	0
ginsenoside rb3 [no description available]	2.31	1	0	12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	3.26	6	0
3-azabicyclo(3.1.0)hexane 3-azabicyclo(3.1.0)hexane: structure in first source	2.05	1	0
ants Ants: Insects of the family Formicidae, very common and widespread, probably the most successful of all the insect groups. All ants are social insects, and most colonies contain three castes, queens, males, and workers. Their habits are often very elaborate and a great many studies have been made of ant behavior. Ants produce a number of secretions that function in offense, defense, and communication. (From Borror, et al., An Introduction to the Study of Insects, 4th ed, p676)	3.25	5	0
1,3-dioleoyl-2-palmitoylglycerol 1,3-dioleoyl-2-palmitoylglycerol : A triglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl while that at position 2 is specified as palmitoyl.	2.15	1	0	triglyceride
3-hydroxyquinidine 3-hydroxyquinidine: RN given refers to (9S)-isomer	1.96	1	0
tetrahydrouridine Tetrahydrouridine: An inhibitor of nucleotide metabolism.	3.42	1	1
neosolaniol neosolaniol: RN given refers to (3 alpha,4 beta,8 alpha)-isomer	2.13	1	0
o-methylthymidine O-methylthymidine: RN given refers to (beta)-isomer	1.95	1	0
curcumol [no description available]	4.9	1	1	sesquiterpenoid
hypocrellin a hypocrellin A: isolated from fungus Hypocrella bambusae sacc	2.01	1	0
lasiodiplodin lasiodiplodin: structure in first source	2	1	0
2',7'-dichlorodihydrofluorescein 2',7'-dichlorodihydrofluorescein: nonfluorescent, reduced form of 2',7'-dichlorofluorescein	2.05	1	0
nickel silicide nickel silicide: has the formula NiSi	2.45	2	0
jaw [no description available]	2.6	1	0	indolecarboxamide
3-oxetanone [no description available]	2.11	1	0
aflatoxin m1 Aflatoxin M1: A 4-hydroxylated metabolite of AFLATOXIN B1, one of the MYCOTOXINS from ASPERGILLUS tainted food. It is associated with LIVER damage and cancer resulting from its P450 activation to the epoxide which alkylates DNA. Toxicity depends on the balance of liver enzymes that activate it (CYTOCHROME P-450) and others that detoxify it (GLUTATHIONE S TRANSFERASE) (Pharmac Ther 50.443 1991). Primates & rat are sensitive while mouse and hamster are tolerant (Canc Res 29.236 1969).. aflatoxin M1 : A member of the class of aflatoxins that is aflatoxin B1 in which the hydrogen at position 9a is replaced by a hydroxy group.	5.51	4	1	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
cobalt tetrasulfophthalocyanine [no description available]	2.11	1	0
homopropargylglycine homopropargylglycine: structure in first source	2.13	1	0
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	9.89	117	1	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	5.45	57	0
cob(ii)alamin cob(II)alamin : A cobalamin in which the central cobalt atom has an oxidation state of +2.	2.02	1	0	cobalamin	cofactor; human metabolite
siphonazole siphonazole: structure in first source	2.03	1	0	methoxybenzenes; phenols
melitten Melitten: Basic polypeptide from the venom of the honey bee (Apis mellifera). It contains 26 amino acids, has cytolytic properties, causes contracture of muscle, releases histamine, and disrupts surface tension, probably due to lysis of cell and mitochondrial membranes.	2.11	1	0
ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.	2.15	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
tannins gallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose).	4.9	1	1	tannin
pleurocidin pleurocidin: isolated from the skin secretions of the winter flounder Pleuronectes americanus; amino acid sequence in first source	2.15	1	0
thymalfasin Thymalfasin: A thymus hormone polypeptide found in thymosin fraction 5 (a crude thymus gland extract) but now produced by synthesis. It is used alone or with interferon as an immunomodulator for the treatment of CHRONIC HEPATITIS B and HEPATITIS C. Thymalfasin is also used for the treatment of chemotherapy-induced immunosuppression, and to enhance the efficacy of influenza and hepatitis B vaccines in immunocompromised patients.	2.03	1	0	polypeptide
(4-24)-ply(a) peptide-Gly-Leu-amide: 21-amino acid peptide from skin secretion of Xenopus laevis; amino acid sequence given in first source	2.11	1	0
glycoprotein e2, hepatitis c virus glycoprotein E2, Hepatitis C virus: RN refers to quasispecies 4E; amino acid sequence known; caution: HCV also stands for hog cholera virus	3.42	1	1
fullerene c70 [no description available]	2.84	3	0	fullerene
alamethicin Alamethicin: A cyclic nonadecapeptide antibiotic that can act as an ionophore and is produced by strains of Trichoderma viride. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.72	3	0
gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.	3.37	7	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	5.57	5	1	peptide hormone
ceca1 protein, drosophila [no description available]	2.15	1	0
neuropeptide y Neuropeptide Y: A 36-amino acid peptide present in many organs and in many sympathetic noradrenergic neurons. It has vasoconstrictor and natriuretic activity and regulates local blood flow, glandular secretion, and smooth muscle activity. The peptide also stimulates feeding and drinking behavior and influences secretion of pituitary hormones.	2.31	1	0
cucurbit(8)uril cucurbit(8)uril: a macrocyclic polymer compound comprising 8 GLYCOLURIL units with methylene bridges	2.03	1	0
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	10.8	59	4
oligonucleotides [no description available]	7.8	55	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	13.62	388	3	glycoside
sodium borate borax: see also sodium borate. borax : A hydrate that is the decahydrate form of disodium tetraborate.	2.72	2	0
ceftiofur ceftiofur: structure in first source	2.25	1	0
perovskite calcium titanate : A calcium salt with the formula CaTiO3, generally obtained in the form of the mineral perovskite.	4.91	10	0
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	3.01	4	0
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	4.53	24	0	1,2-diacyl-sn-glycero-3-phosphocholine
putrebactin putrebactin: an iron-chelating agent isolated from Shewanella putrefaciens; structure in first source	2.6	1	0	cyclic hydroxamic acid
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	4.56	23	0	chlorophyll; methyl ester	cofactor
bismuth subsalicylate bismuth subsalicylate: bismuth subsalicylate is the active ingredient of Pepto-Bismol and in Kaopectate; used to treat nausea, heartburn, indigestion, upset stomach, diarrhea and other temporary discomforts of the stomach; used with Azoles and other drugs to treat Helicobacter. bismuth subsalicylate : A bismuth salt of salicylic acid.	7.25	1	0
vendex Torque: The rotational force about an axis that is equal to the product of a force times the distance from the axis where the force is applied.	5.39	13	1	organotin acaricide
cordierite cordierite: contains magnesium, aluminum oxides, and silicon oxides	2.07	1	0
sulfoxaflor sulfoxaflor: insecticide targeting sap-feeding pests; structure in first source. sulfoxaflor : A mixture of the four diastereoisomers arising from the two tetrahedral stereocentres of [methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide (the sulfur atom and the carbon attached to position 3 of the pyridine ring). [Both E- and Z-isomers involving the S=N double bond and the cyano group exist, but they interconvert rapidly at r.t.]. A nicotinic acetylcholine receptor agonist in insects, sulfoxaflor is used as an insecticide, particularly for the control of aphids.. [methyl(oxido){1-[6-(trifluoromethyl)pyridin-3-yl]ethyl}-lambda(6)-sulfanylidene]cyanamide : A member of the class of pyridines that is 5-ethyl-2-trifluoromethylpyridine in which the ethyl group is substituted at position 1 by an N-cyano-S-methylsulfonimidoyl group. The insecticide sulfoxalor is a mixture of the four possible stereoisomers arising from the two tetrahedral stereocentres.	2.13	1	0	nitrile; organofluorine compound; pyridines; sulfoximide
pyranonigrin a pyranonigrin A: structure in first source. pyranonigrin A : A member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger.	2.11	1	0	cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol	antioxidant; Aspergillus metabolite; marine metabolite
hoe 33342 bisbenzimide ethoxide trihydrochloride: benzimidazole fluorescent dye	2.07	1	0
ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals.	5.19	10	1
1,2-azaborine 1,2-azaborine: structure in first source	2.21	1	0
aminoindanol aminoindanol: structure in first source	2.07	1	0
lithium borohydride [no description available]	2.76	3	0
lucifer yellow lucifer yellow: RN given refers to di-Li salt	2.06	1	0	organic lithium salt	fluorochrome
silicate cement Silicate Cement: A relatively hard, translucent, restorative material used primarily in anterior teeth. (From Boucher's Clinical Dental Terminology, 4th ed, p50)	1.99	1	0
menotropins Menotropins: Extracts of urine from menopausal women that contain high concentrations of pituitary gonadotropins, FOLLICLE STIMULATING HORMONE and LUTEINIZING HORMONE. Menotropins are used to treat infertility. The FSH:LH ratio and degree of purity vary in different preparations.	1.94	1	0
chitosan [no description available]	13.39	368	4
isosaccharinic acid [no description available]	2.11	1	0
mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.	8.69	70	0	organosulfonic acid
tert-butoxide, potassium [no description available]	2.6	1	0
lithium perchlorate lithium perchlorate: stabilizes DNA-polycation complex; RN given refers to parent compound	2.96	4	0
lithium niobate [no description available]	3.13	5	0
sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.	8.58	8	0	inorganic sodium salt	bleaching agent; disinfectant
sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.	2.76	3	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
sarkosyl sarkosyl: RN given is for sarkosyl L, the parent cpd; structure	2.31	1	0
lithium cobalt oxide lithium cobalt oxide: primary cathode material of rechargeable lithium batteries	2.07	1	0
potassium bromate potassium bromate: used as bread improver	3.41	1	0	bromate salt; potassium salt	flour treatment agent
methyl orange methyl orange: indictor of pH with strong acids & bases; also used as reagent to form ion pairs with, and thereby isolate, certain compounds from biological material; minor descriptor (75-86); on-line & INDEX MEDICUS search AZO COMPOUNDS (75-86); file maintained to Azo cpds	9.43	19	0
stearates Stearates: Salts and esters of the 18-carbon saturated, monocarboxylic acid--stearic acid.	2.02	1	0
sodium glutamate Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid.	10.28	3	1	monosodium glutamate	flavouring agent
chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.	2.38	2	0
methyl jasmonate [no description available]	2.31	1	0
largazole largazole: an antiproliferative agent from Symploca; structure in first source	2.06	1	0
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	4.91	11	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
snx 2112 SNX 2112: an orally available small molecule Hsp90 inhibitor; structure in first source	2.13	1	0
picrotoxin Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.	1.94	1	0
ethyl cellulose [no description available]	2.6	1	0	glycoside
superphosphate superphosphate: RN given refers to normal or enriched superphosphate, MF unknown	3.42	6	0
intrinsic factor Intrinsic Factor: A glycoprotein secreted by the cells of the GASTRIC GLANDS that is required for the absorption of VITAMIN B 12 (cyanocobalamin). Deficiency of intrinsic factor leads to VITAMIN B 12 DEFICIENCY and ANEMIA, PERNICIOUS.	3.76	3	0
egg white Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed)	3.29	6	0
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	3.21	4	0	BODIPY compound
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	2.37	2	0
pyromorphite [no description available]	2.11	1	0
tolterodine tartrate Tolterodine Tartrate: An ANTIMUSCARINIC AGENT selective for the MUSCARINIC RECEPTORS of the BLADDER that is used in the treatment of URINARY INCONTINENCE and URINARY URGE INCONTINENCE.	2.13	1	0	tartrate salt
mannans [no description available]	5.14	10	1
n-deacetyllappaconitine N-deacetyllappaconitine: RN given refers to ((1alpha,14alpha,16beta)-isomer)	2.02	1	0	diterpene alkaloid
nitrogenase Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1.	7.09	34	0
phosphinothricin phosphinothricin: RN given refers to parent cpd with unspecified isomeric designation; structure. phosphinothricin(1-) : Conjugate base of phosphinothricin arising from deprotonation of the phosphinate function.	2.58	2	0	organic anion
peptones Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed)	3.82	11	0
glycolipids [no description available]	6.87	20	1
piperidines Piperidines: A family of hexahydropyridines.	8.47	25	2
bryostatin 1 bryostatin 1: a protein kinase C activator; macrocyclic lactone from marine Bryozoan Bugula neritina; RN given refers to (1S-(1R,3R,5Z,7S,8E,11R,12R(2E,4E),13E,15R,17S(S),21S,23S,25R))-isomer; structure given in first source; activates protein kinase c. bryostatin 1 : A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins.	7.41	1	0
thymosin Thymosin: Thymosin. A family of heat-stable, polypeptide hormones secreted by the thymus gland. Their biological activities include lymphocytopoiesis, restoration of immunological competence and enhancement of expression of T-cell characteristics and function. They have therapeutic potential in patients having primary or secondary immunodeficiency diseases, cancer or diseases related to aging.	2.03	1	0
galactocerebroside galactocerebroside: a NITROGEN containing sphingolipid	2.05	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	7.05	23	1
dufulin dufulin: structure in first source	2.13	1	0
colistin Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.	6.16	10	1
hydroxocobalamin Hydroxocobalamin: Injectable form of VITAMIN B 12 that has been used therapeutically to treat VITAMIN B 12 DEFICIENCY.	2.13	1	0
tylosin [no description available]	6.04	14	2
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine sapanisertib: an mTOR inhibitor	4.61	1	1	benzoxazole
glpg0634 [no description available]	4.57	1	1
methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.	2.91	4	0
isoquercitrin [no description available]	2.21	1	0
1,2-dioleoyl-sn-glycero-3-phosphoglycerol 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) : A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl.	2.05	1	0	1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)
natriuretic peptide, brain Natriuretic Peptide, Brain: A PEPTIDE that is secreted by the BRAIN and the HEART ATRIA, stored mainly in cardiac ventricular MYOCARDIUM. It can cause NATRIURESIS; DIURESIS; VASODILATION; and inhibits secretion of RENIN and ALDOSTERONE. It improves heart function. It contains 32 AMINO ACIDS.	2.57	2	0	polypeptide
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	7.8	31	1
lesinurad lesinurad: a uric acid reabsorption inhibitor. lesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout.	2.17	1	0	aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles	uricosuric drug
chondroitin Chondroitin: A mucopolysaccharide constituent of chondrin. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.66	3	0
heparitin sulfate Heparitin Sulfate: A heteropolysaccharide that is similar in structure to HEPARIN. It accumulates in individuals with MUCOPOLYSACCHARIDOSIS.	2.07	1	0
crotylsilane crotylsilane: structure in first source	2.05	1	0
stubomycin stubomycin: contains polyene amide group; from Streptomyces	2.31	1	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	8.12	169	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	2.41	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	10.06	38	0
chlortetracycline Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.. chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.	9.06	13	0
oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.	4.56	23	0
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	7	13	2	monohydroxybenzoate	plant metabolite
dicumarol Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.	1.92	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam [no description available]	2.98	4	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	4.43	20	0	benzenes; hydroxycoumarin; methyl ketone
ascorbate-2-phosphate ascorbate-2-phosphate: inhibitor of ascorbate-2-sulfate sulfohydrolase from bovine liver. L-ascorbic acid 2-phosphate : An aldonolactone phosphate that is the 2-phosphate ester of L-ascorbic acid. It can stimulate collagen formation.	2.15	1	0	aldonolactone phosphate
4-hydroxycoumarin 2-hydroxychromone: structure	2.17	1	0	hydroxycoumarin
tetramic acid tetramic acid : A gamma-lactam that is 1,3-dihydro-2H-pyrrol-2-one in which the hydrogen at position 4 has been replaced by a hydroxy group. Despite its simple structure, it was not synthesised until 1972; earlier attempts were later shown to have resulted only in the formation of the isomer 5-imino-4,5-dihydrofuran-3-ol.	2.11	1	0
tetronasin tetronasin: RN refers to the Na-salt; from Streptomyces longisporoflavus	1.99	1	0	terpene glycoside
2,4-dihydroxypyridine [no description available]	2.01	1	0	pyridone
lymecycline Lymecycline: A semisynthetic antibiotic related to TETRACYCLINE. It is more readily absorbed than TETRACYCLINE and can be used in lower doses.. lymecycline : A tetracycline-based broad-spectrum antibiotic. It is approximately 5000 times more soluble than tetracycline base and is unique amongst tetracyclines in that it is absorbed by the "active transport" process across the intestinal wall.	1.94	1	0
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	3.33	6	0
microcystin microcystin: microcystins have the general structure cyclo(D-Ala-L-X-D-erythro--methylisoasp-L-Y-Adda-D-isoGlu-N-methyldehydroAla) where X and Y are variable L-amino acids;. microcystin : A family of cyclic heptapeptide hepatotoxins produced by a number of cyanobacteria, the most notable of which is Microcystis, from which the name of the family is derived. Microcystins consist of a heptapeptide macrocycle made up of five non-protein amino acids and two protein amino acids.	2.05	1	0	peptide
calca protein, human CALCA protein, human: RefSeq NM_001741	2.1	1	0
kaolinite Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products.	3.83	11	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.	6.16	38	0
charybdotoxin [no description available]	2.01	1	0
bismuth oxybromide bismuth oxybromide: bismuth oxybromide (BiOBr) nanoplate microspheres were used to remove NO in indoor air under visible light irradiation	2.1	1	0
lead radioisotopes Lead Radioisotopes: Unstable isotopes of lead that decay or disintegrate emitting radiation. Pb atoms with atomic weights 194-203, 205, and 209-214 are radioactive lead isotopes.	2.49	2	0
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	6.98	21	1
phytoestrogens Phytoestrogens: Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.	2.03	1	0
chromated copper arsenate chromated copper arsenate: wood preservative; serves as substrate for trimethylarsine biosynthesis; RN given refers to (Cu(+2)[2:3] salt)	2.03	1	0
okadaic acid Okadaic Acid: A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. It is produced by DINOFLAGELLATES and causes diarrhetic SHELLFISH POISONING.. okadaic acid : A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells.	3.04	3	0	ketal
brine brine: not from seawater; contains sodium chloride; calcium chloride; magnesium chloride; one or all of the above	3.96	11	0
sybr green i SYBR Green I: binds to double stranded DNA of less than 20 pg following agarose or polyacrylamide gel electrophoresis; excited at 497 nm and emits at 520 nm. SYBR Green I : A benzothiazolium ion resulting from the methylation of the nitrogen of the benzothiazole group of N-[4-(1,3-benzothiazol-2-ylmethylene)-1-phenyl-1,4-dihydroquinolin-2-yl]-N',N'-dimethyl-N-propylpropane-1,3-diamine. A cationic unsymmetrical cyanine dye that binds to double-stranded DNA and is used as a nucleic acid stain in molecular biology.	3.33	6	0	benzothiazolium ion; cyanine dye; quinolines; tertiary amine	fluorescent dye
pyrethrins [no description available]	3.97	12	0
siroheme [no description available]	2.15	1	0
tobermorite tobermorite: used in phosphorus removal and recovery from wastewater	2.5	2	0
rome Rome: The capital city of Italy.. (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol : A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor.	7.86	3	0	2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol	EC 2.7.1.91 (sphingosine kinase) inhibitor
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	3.58	9	0
olivine olivine: sand of primarily magnesium iron silicate, containing low levels of free silica; suggested as a less injurious substitute for silica quartz in foundries; RN in Chemline for unspecified composition: 1317-71-1	2.41	2	0
laponite laponite: a synthesized hectorite; chemical formula in first source	3.03	4	0
cobra cardiotoxin proteins Cobra Cardiotoxin Proteins: Most abundant proteins in COBRA venom; basic polypeptides of 57 to 62 amino acids with four disulfide bonds and a molecular weight of less than 7000; causes skeletal and cardiac muscle contraction, interferes with neuromuscular and ganglionic transmission, depolarizes nerve, muscle and blood cell membranes, thus causing hemolysis.	1.95	1	0
chabazite [no description available]	7.21	1	0
reactive blue 21 reactive blue 21: structure in first source	2.03	1	0
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.02	1	0
alcohol oxidase [no description available]	3	4	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	4.19	17	0
praliciguat praliciguat: soluble guanylate cyclase stimulator. praliciguat : A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction.	3.42	1	1	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
illite [no description available]	1.96	1	0
tetracarboxyphenylporphine [no description available]	2.04	1	0
asbestos, crocidolite Asbestos, Crocidolite: A lavender, acid-resistant asbestos.	5.84	27	0
phthalocyanine phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.	6.08	21	0	phthalocyanines; tetrapyrrole fundamental parent
tetraphenylporphine tetraphenylporphyrin: structure in first source	2.54	2	0
g(m3) ganglioside G(M3) Ganglioside: A ganglioside present in abnormally large amounts in the brain and liver due to a deficient biosynthetic enzyme, G(M3):UDP-N-acetylgalactosaminyltransferase. Deficiency of this enzyme prevents the formation of G(M2) ganglioside from G(M3) ganglioside and is the cause of an anabolic sphingolipidosis.. alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:1(15Z)) : A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/24:1(15Z)).	2.72	3	0	alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide	mouse metabolite
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents.	4.84	31	0
bassianolide bassianolide: cyclodepsipeptide from mycelia of Beauveria bassiana; inhibits isotonic contractions induced by acetylcholine. bassianolide : A cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Verticillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170.	3.49	6	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
indolicidin [no description available]	2.53	2	0
angiotensin i Angiotensin I: A decapeptide that is cleaved from precursor angiotensinogen by RENIN. Angiotensin I has limited biological activity. It is converted to angiotensin II, a potent vasoconstrictor, after the removal of two amino acids at the C-terminal by ANGIOTENSIN CONVERTING ENZYME.. angiotensin I : A ten amino acid peptide formed by renin cleavage of angiotensinogen. Angiotensin I has no direct biological function except that high levels can stimulate catecholamine production. It is metabolized to its biologically active byproduct angiotensin II, a potent vasoconstrictor, by angiotensin converting enzyme (ACE) through cleavage of the two terminal amino acids.. angiotensin I dizwitterion : A peptide zwitterion that is the dizwitterionic form of angiotensin I having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3.	2.08	1	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
ascophyllum Ascophyllum: A BROWN ALGAE closely related to FUCUS. It is found attached to rocks and boulders on the middle shore, primarily in the North Atlantic basin.	7.13	1	0
cobamamide cobamamide : A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.	3.81	3	0
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	2.68	3	0
3-methyluridine 3-methyluridine: isolated from normal human urine & is a minor constituent of tRNA form yeast, rat and human liver; structure	1.95	1	0
feldspar feldspar: structure	2.06	1	0
lipofectamine Lipofectamine: mediates gene transfer; a polycationic lipid reagent	2.86	3	0
tridihexethyl mesaconitine: RN given refers to parent cpd(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer	2.07	1	0
oridonin [no description available]	2.21	1	0
gibberellins [no description available]	2.6	1	0
clavanin a clavanin A: histidine-rich, amidated, alpha-helical protein isolated from the hemocytes of Styela clava; amino acid sequence in first source	2.11	1	0
t-2 toxin T-2 Toxin: A potent mycotoxin produced in feedstuffs by several species of the genus FUSARIUM. It elicits a severe inflammatory reaction in animals and has teratogenic effects.. T-2 toxin : A trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals.	2.13	1	0
ht-2 toxin HT-2 toxin : A trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin.	2.13	1	0
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	8.4	73	0
aconitine Aconitine: A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties.. aconitine : A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.	2.76	3	0
humulin s Insulin, Regular, Human: Regular insulin preparations that contain the HUMAN insulin peptide sequence.. insulin (human) : An insulin that is produced in the pancreas and involved in regulating the metabolism of carbohydrates (particularly glucose) and fats. Commonly thought of as a protein, it consists of two peptide chains, one containing 21 amino acid residues and the other containing 30; the chains are joined together by 2 disulfide bonds. Recombinant insulin is identical to human insulin, but is synthesised by inserting the human insulin gene into E. coli, which then produces insulin for human use. It is used in the treatment of type I and type II diabetes.	2.41	1	0
norgestrel Norgestrel: A synthetic progestational agent with actions similar to those of PROGESTERONE. This racemic or (+-)-form has about half the potency of the levo form (LEVONORGESTREL). Norgestrel is used as a contraceptive, ovulation inhibitor, and for the control of menstrual disorders and endometriosis.	1.95	1	0
as 1411 AGRO 100: an antineoplastic agent that inhibits nuclear factor-kappaB activation; base sequence in first source	2.15	1	0
nickel ferrite nickel ferrite : A mixed metal oxide with formula Fe2NiO4.	3.22	5	0
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	2.74	3	0
flavin mononucleotide Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.	3.93	12	0
silybin Silybin: The major active component of silymarin flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum; it is used in the treatment of HEPATITIS; LIVER CIRRHOSIS; and CHEMICAL AND DRUG INDUCED LIVER INJURY, and has antineoplastic activity; silybins A and B are diastereomers.	2.52	2	0
triciribine triciribine: structure. triciribine : A nucleoside analogue in which the nucleobase portion is a 1,4,5,6,8-pentaazaacenaphthylene ring system substituted with an amino group at position 3, and a methyl group at position 5 and is bound to the beta-D-ribofuranosyl moiety by an N(1)-glycosidic linkage.	2.15	1	0
cytochalasin d Cytochalasin D: A fungal metabolite that blocks cytoplasmic cleavage by blocking formation of contractile microfilament structures resulting in multinucleated cell formation, reversible inhibition of cell movement, and the induction of cellular extrusion. Additional reported effects include the inhibition of actin polymerization, DNA synthesis, sperm motility, glucose transport, thyroid secretion, and growth hormone release.. cytochalasin D : An organic heterotricyclic compound that is a mycotoxin produced by Helminthosporium and other moulds which is cell permeable and a potent inhibitor of actin polymerisation and DNA synthesis.	2.79	3	0
2-methylisoborneol 2-methylisoborneol: structure. 2-methylisoborneol : An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).	7.46	2	0
lactoferrin Lactoferrin: An iron-binding protein that was originally characterized as a milk protein. It is widely distributed in secretory fluids and is found in the neutrophilic granules of LEUKOCYTES. The N-terminal part of lactoferrin possesses a serine protease which functions to inactivate the TYPE III SECRETION SYSTEM used by bacteria to export virulence proteins for host cell invasion.	10.4	4	1
factor f430 factor F430: low mol wt nickel-containing cpd from Methanobacterium. coenzyme F430 : A nickel tetrapyrrole found only in methanogenic Archaea. It is the prosthetic group of the enzyme methyl coenzyme M reductase which catalyses the release of methane in the final step of methanogenesis.	6.47	23	0
catalpol catalpol: component of dihuang; RN given refers to (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-isomer; RN for cpd without isomeric designation not avail 12/92	4.61	1	1
haloperidol diphenylprolinol silyl ether: structure in first source	2.13	1	0
asbestos, amosite Asbestos, Amosite: Asbestos, grunerite. A monoclinic amphibole form of asbestos having long fibers and a high iron content. It is used in insulation. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.11	1	0
orabase Orabase: used in therapy of oral mucosal ulcers	4.24	15	0
technetium tc 99m medronate Technetium Tc 99m Medronate: A gamma-emitting radionuclide imaging agent used primarily in skeletal scintigraphy. Because of its absorption by a variety of tumors, it is useful for the detection of neoplasms.	2.37	2	0
thromboplastin Thromboplastin: Constituent composed of protein and phospholipid that is widely distributed in many tissues. It serves as a cofactor with factor VIIa to activate factor X in the extrinsic pathway of blood coagulation.	2.45	2	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	5.56	65	0
amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined	2.52	2	0
chondroitin sulfates Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.	3	4	0
perlite Perlite: siliceous volcanic rock composed of silicon dioxide & aluminum oxide	8.21	5	0
all-bond 2 All-Bond 2: a 2-component primer system; primer A contains 2% sodium salt of N-p-tolylglycineglycidyl methacrylate	3.1	5	0
exudates Malaysia: A parliamentary democracy with a constitutional monarch in southeast Asia, consisting of 11 states (West Malaysia) on the Malay Peninsula and two states (East Malaysia) on the island of BORNEO. It is also called the Federation of Malaysia. Its capital is Kuala Lumpur. Before 1963 it was the Union of Malaya. It reorganized in 1948 as the Federation of Malaya, becoming independent from British Malaya in 1957 and becoming Malaysia in 1963 as a federation of Malaya, Sabah, Sarawak, and Singapore (which seceded in 1965). The form Malay- probably derives from the Tamil malay, mountain, with reference to its geography. (From Webster's New Geographical Dictionary, 1988, p715 & Room, Brewer's Dictionary of Names, 1992, p329)	5.43	18	0
narasin narasin: related to salinomycin & A28086B; structure; RN given refers to parent cpd	2.17	1	0
tetra(4-n-methylpyridyl)porphine tetra(4-N-methylpyridyl)porphine: structure in first source	2.06	1	0
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	3.44	7	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
levoleucovorin Levoleucovorin: A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN.. (6S)-5-formyltetrahydrofolic acid : The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.	1.94	1	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
deoxyguanosine [no description available]	3.95	12	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate [no description available]	2.04	1	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
dihydrofolate dihydrofolic acid : A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis.	2.01	1	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
guanosine diphosphate Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety.	2.67	3	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine monophosphate Guanosine Monophosphate: A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature.. guanosine 5'-monophosphate : A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase.	2.73	3	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
guanosine triphosphate Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.	2.39	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanine [no description available]	11.95	53	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose.	3.31	6	0	guanosines; purines D-ribonucleoside	fundamental metabolite
hypoxanthine [no description available]	5.14	13	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
inosine [no description available]	2.69	3	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sapropterin sapropterin: RN given refers to parent cpd; co-factor required for catalytic activity of nitric oxide synthases. (6R)-5,6,7,8-tetrahydrobiopterin : A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.. sapropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer).	1.99	1	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	7.2	66	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
3-methyladenine N3-methyladenine: structure in first source	2.06	1	0
5,6,7,8-tetrahydromethanopterin [no description available]	4.58	8	0	tetrahydromethanopterin
pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S,11S),4beta,21beta))-isomer	5.23	13	0
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	5.66	5	1	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.53	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	2.87	3	0	dacarbazine
ganciclovir [no description available]	2.4	2	0	2-aminopurines; oxopurine	antiinfective agent; antiviral drug
valacyclovir Valacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.	2.5	2	0	L-valyl ester	antiviral drug
olanzapine Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.	2.51	2	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
pralidoxime pralidoxime: RN given refers to parent cpd; chloride was minor descriptor (75-80); on-line & Index Medicus search PRALIDOXIME COMPOUNDS (66-80). pralidoxime : A pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2.	6.93	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
nolatrexed nolatrexed: structure given in first source; RN given refers to dihydrochloride	2	1	0
8-azaxanthine methanochondroitin: a heteropolysaccharide from cell wall which resembles the eukaryotic chondroitin	2.04	1	0	triazolopyrimidines
syringaldazine syringaldazine: used for detection of laccase in sporophores of wood rotting fungi; structure	2.05	1	0
allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.	3.81	11	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
hematein hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10.	2.05	1	0
5-nitro-1,2,4-triazol-3-one 5-nitro-1,2,4-triazol-3-one: impact-insensitive explosive; structure in first source	2.31	1	0
8-hydroxyguanosine 8-hydroxyguanosine: immunostimulant for B lymphocytes; structure given in first source	2.11	1	0	purine nucleoside
pemetrexed pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).	2.1	1	0	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.48	2	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
vardenafil dihydrochloride Vardenafil Dihydrochloride: A piperazine derivative, PHOSPHODIESTERASE 5 INHIBITOR and VASODILATOR AGENT that is used as a UROLOGICAL AGENT in the treatment of ERECTILE DYSFUNCTION.	2.25	1	0
5,6,7,8-tetrahydrofolic acid 5,6,7,8-tetrahydrofolic acid: RN given refers to (DL)-isomer	2.46	2	0	tetrahydrofolic acid
direct yellow 4 dye Direct Yellow 4 dye: RN given refers to parent cpd	2.13	1	0
8-hydroxyguanine 7,8-dihydro-8-oxoguanine: was substituted for guanine at G(8), G(9), G(14), or G(15) in the human telomeric oligonucleotide 5'-d[AGGGTTAG(8)G(9)GTT AG(14)G(15)GTTAGGGTGT]-3'. 7,8-dihydro-8-oxoguanine : An oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen.	3.59	2	0	oxopurine
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.91	4	0
azure c Azure C: RN given refers to chloride. azure C : An organic chloride salt having 3-amino-7-(methylamino)phenothiazin-5-ium as the counterion.	2.45	2	0
methylnitronitrosoguanidine Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position	2.42	2	0	nitroso compound	alkylating agent
5,10,15,20-tetra(4-hydroxyphenyl)porphyrin 5,10,15,20-tetra(4-hydroxyphenyl)porphyrin: structure in first source; tumor localizer; do not confuse with THPP	2.07	1	0
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	3.8	10	0	guanosines	biomarker
2-naphthol orange 2-naphthol orange: structure; see also record for C.I. Solvent Orange 2	3.48	7	0
amido black Naphthol Blue Black: commercially available industrial azo dye; structure in first source. Amido Black 10B : An organic sodium salt resulting from the formal condensation of Amido Black 10B (acid form) with two equivalents of sodium hydroxide.	2.11	1	0
remazol black b Remazol black B: RN given refers to the tetrasodium salt. remazole black-GR : A bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene.	2.02	1	0
7-methylguanosine 7-methylguanosine : A positively charged methylguanosine in which a single methyl substituent is located at position 7.	2.25	1	0	methylguanosine; organic cation	metabolite
scytonemin scytonemin: an ultraviolet sunscreen pigment from the sheaths of cyanobacteria; structure given in first source. scytonemin : A ring assembly obtained by 1,1'-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria.	2.08	1	0	enone; organic heterotricyclic compound; organonitrogen heterocyclic compound; polyphenol; ring assembly	bacterial metabolite; biological pigment; ultraviolet filter
8-nitroguanine [no description available]	2.5	2	0	oxopurine
5-methyltetrahydrofolate 5-methyltetrahydrofolate : A group of heterocyclic compounds based on the 5-methyl-5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units.	3.74	3	0
enng [no description available]	1.96	1	0
carbadox Carbadox: An antibacterial agent that has been used in veterinary practice for treating swine dysentery and enteritis and for promoting growth. However, its use has been prohibited in the UK following reports of carcinogenicity and mutagenicity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p125)	2.21	1	0	quinoxaline derivative
imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.	3.24	5	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone alpha-(4-pyridyl-1-oxide)-N-tert-butylnitrone: structure given in first source	2	1	0
methanopterin methanopterin: isolated from Methanobacterium thermautotrophicum. methanopterin : A member of the class of methanopterins obtained by formal dehydrogenation at positions 5, 6, 7 and 8 of tetrahydromethanopterin. The parent of the class of methanopterins	9.98	7	0	methanopterins
direct black 3 [no description available]	2.02	1	0
molybdenum cofactor molybdenum cofactor: also see records for molybdopterin cytosine dinucleotide and molybdopterin guanine dinucleotide. MoO2-molybdopterin cofactor(2-) : An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of MoO2-molybdopterin cofactor.. MoO2-molybdopterin cofactor : An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2.	2.03	1	0	Mo-molybdopterin cofactor; organophosphate oxoanion
cyanine dye 3 cyanine dye 3: structures of Cy3 derivatives given in first source	2.06	1	0
tatiopterin tatiopterin: structure given in first source; from Methanogenium tationis; carrier of C1 compounds in methanogenesis. tatiopterin : A pterin derivative that is an aspartyl derivative of sarcinapterin with a 7-proton instead of a 7-methyl group in the methanopterin moiety.	1.97	1	0	pterins
cycloprodigiosin cycloprodigiosin: structure in first source	2.08	1	0
solochrome cyanine r solochrome cyanine R: structure	2.15	1	0
avermectin avermectin: produced by actinomycete, Streptomyces avermitilis; structure; see also records for specific avermectins. avermectin : Any of the macrolides obtained as fermentation products from the bacterium Streptomyces avermitilis and consisting of a 16-membered macrocyclic backbone that is fused both benzofuran and spiroketal functions and contains a disaccharide substituent. They have significant anthelmintic and insecticidal properties.	2.15	1	0
eye [no description available]	3.24	6	0
quillaja saponins Quillaja Saponins: Natural detergents made up of a heterogeneous mixture of molecules having a triterpenoid core structure. They vary in aglycone (sapogenin) and sugar moieties, including glucose.	2.49	2	0
maltodextrin maltodextrin : A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds.	5.62	3	2
acetylcellulose acetylcellulose: coating compound. cellulose acetate : A glucan derivative obtained through the esterification of cellulose by acetic anhydride or acetic acid, resulting in the substitution of some of the hydroxy groups of cellulose by acetyl groups. It is used in a variety of applications including base material for photographic film, clothing, membrane filters, coatings, food packaging, and as a frame material for eyeglasses.	7.04	13	1
carbidopa Carbidopa: An inhibitor of DOPA DECARBOXYLASE that prevents conversion of LEVODOPA to dopamine. It is used in PARKINSON DISEASE to reduce peripheral adverse effects of LEVODOPA. It has no anti-parkinson activity by itself.. carbidopa : The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.	3.8	1	1
picroside ii picroside II: RN given for (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6abeta))-isomer; structure in first source	2.13	1	0
pseudolaric acid b [no description available]	2.01	1	0
pseudolaric acid a pseudolaric acid A: from Pseudolarix kaempfer Gordon; structure given in first source	2.01	1	0
mordenite [no description available]	2.75	3	0
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	10.3	16	0
trypsinogen Trypsinogen: The inactive proenzyme of trypsin secreted by the pancreas, activated in the duodenum via cleavage by enteropeptidase. (Stedman, 25th ed)	7.35	2	0
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	2.99	4	0
factor 420 factor 420: isolated from Methanobacterium strain MOH; mol Wt. about 630; can serve as electron carrier; involved in NADP-linked hydrogenase system	4.04	4	0
vermiculite [no description available]	3.14	4	0
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.	2.45	2	0
phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes.	2.88	4	0
thrombin aptamer thrombin aptamer: nucleotide sequence given in first source; a synthetic polynucleotide	3.32	6	0
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	3.13	1	0
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	2.11	1	0
phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.	6.43	52	0

Condition	Relationship Strength	Studies	Trials
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	16.51	144	32
ANCA-Associated Vasculitides [description not available]	2.41	1	0
Anti-Neutrophil Cytoplasmic Antibody-Associated Vasculitis Group of systemic vasculitis with a strong association with ANCA. The disorders are characterized by necrotizing inflammation of small and medium size vessels, with little or no immune-complex deposits in vessel walls.	2.41	1	0
Asthma, Bronchial [description not available]	9.1	24	3
Asthmatic Crisis [description not available]	2.41	1	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	9.1	24	3
Status Asthmaticus A sudden intense and continuous aggravation of a state of asthma, marked by dyspnea to the point of exhaustion and collapse and not responding to the usual therapeutic efforts.	2.41	1	0
Chemical Dependence [description not available]	3.1	5	0
Behavior Disorders [description not available]	2.94	4	0
Mental Disorders Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.	2.94	4	0
Substance-Related Disorders Disorders related to substance use or abuse.	3.1	5	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	5.87	8	1
2019 Novel Coronavirus Disease [description not available]	12.44	56	10
Autism [description not available]	2.57	2	0
Autistic Disorder A disorder beginning in childhood. It is marked by the presence of markedly abnormal or impaired development in social interaction and communication and a markedly restricted repertoire of activity and interest. Manifestations of the disorder vary greatly depending on the developmental level and chronological age of the individual. (DSM-V)	2.57	2	0
Complications, Pregnancy [description not available]	4.05	5	0
Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.	6.22	12	1
Facies The appearance of the face that is often characteristic of a disease or pathological condition, as the elfin facies of WILLIAMS SYNDROME or the mongoloid facies of DOWN SYNDROME. (Random House Unabridged Dictionary, 2d ed)	3.33	1	0
Apoplexy [description not available]	6.14	10	1
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	6.14	10	1
Dehydration The condition that results from excessive loss of water from a living organism.	3.65	9	0
Cardiac Failure [description not available]	11.66	21	16
Heart Disease, Ischemic [description not available]	2.63	2	0
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	11.66	21	16
Respiratory Tract Diseases Diseases involving the RESPIRATORY SYSTEM.	5.81	15	0
Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION).	7.63	2	0
Acrania [description not available]	2.59	2	0
Neural Tube Defects Congenital malformations of the central nervous system and adjacent structures related to defective neural tube closure during the first trimester of pregnancy generally occurring between days 18-29 of gestation. Ectodermal and mesodermal malformations (mainly involving the skull and vertebrae) may occur as a result of defects of neural tube closure. (From Joynt, Clinical Neurology, 1992, Ch55, pp31-41)	2.59	2	0
Respiration Disorders Diseases of the respiratory system in general or unspecified or for a specific respiratory disease not available.	2.49	2	0
Infections, Chlamydia [description not available]	2.25	1	0
Neisseria gonorrhoeae Infection [description not available]	2.88	3	0
Sexually Transmitted Diseases Diseases due to or propagated by sexual contact.	2.61	2	0
Great Pox [description not available]	2.25	1	0
Chlamydia Infections Infections with bacteria of the genus CHLAMYDIA.	2.25	1	0
Gonorrhea Acute infectious disease characterized by primary invasion of the urogenital tract. The etiologic agent, NEISSERIA GONORRHOEAE, was isolated by Neisser in 1879.	2.88	3	0
Syphilis A contagious venereal disease caused by the spirochete TREPONEMA PALLIDUM.	2.25	1	0
Cancer of Gastrointestinal Tract [description not available]	5.88	3	1
Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.	5.94	8	1
Preterm Birth [description not available]	3.77	9	0
Premature Birth CHILDBIRTH before 37 weeks of PREGNANCY (259 days from the first day of the mother's last menstrual period, or 245 days after FERTILIZATION).	3.77	9	0
Infant, Small for Gestational Age An infant having a birth weight lower than expected for its gestational age.	5.54	5	1
Blast Injuries Injuries resulting when a person is struck by particles impelled with violent force from an explosion. Blast causes pulmonary concussion and hemorrhage, laceration of other thoracic and abdominal viscera, ruptured ear drums, and minor effects in the central nervous system. (From Dorland, 27th ed)	4.26	7	0
Hypertriglyceridemia A condition of elevated levels of TRIGLYCERIDES in the blood.	2.25	1	0
Harelip [description not available]	2.39	2	0
Cleft Palate, Isolated [description not available]	2.57	2	0
Abnormality, Heart [description not available]	2.87	3	0
Cleft Lip Congenital defect in the upper lip where the maxillary prominence fails to merge with the merged medial nasal prominences. It is thought to be caused by faulty migration of the mesoderm in the head region.	2.39	2	0
Cleft Palate Congenital fissure of the soft and/or hard palate, due to faulty fusion.	2.57	2	0
Heart Defects, Congenital Developmental abnormalities involving structures of the heart. These defects are present at birth but may be discovered later in life.	2.87	3	0
Cardiovascular Stroke [description not available]	4.17	14	0
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	4.17	14	0
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	11.34	25	12
Bone Stress Reaction [description not available]	2.31	1	0
Genetic Predisposition [description not available]	5.55	5	1
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	15.34	28	5
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	9.96	99	1
Pneumonia Infection of the lung often accompanied by inflammation.	9.96	99	1
Diseases, Occupational [description not available]	6.56	27	0
Gammapathy, Monoclonal [description not available]	2.15	1	0
Paraproteinemias A group of related diseases characterized by an unbalanced or disproportionate proliferation of immunoglobulin-producing cells, usually from a single clone. These cells frequently secrete a structurally homogeneous immunoglobulin (M-component) and/or an abnormal immunoglobulin.	2.15	1	0
Breast Cancer [description not available]	14.52	129	18
Breast Neoplasms Tumors or cancer of the human BREAST.	14.52	129	18
Chemical Sensitivities, Multiple [description not available]	3.53	1	1
Allergy, Food [description not available]	4.74	3	2
Environmental Hypersensitivities [description not available]	5.51	5	1
Food Hypersensitivity Gastrointestinal disturbances, skin eruptions, or shock due to allergic reactions to allergens in food.	4.74	3	2
Child Mental Disorders [description not available]	3.09	1	0
Abnormalities, Congenital [description not available]	3.51	2	0
Academic Disorder, Developmental [description not available]	3.48	2	0
Learning Disabilities Conditions characterized by a significant discrepancy between an individual's perceived level of intellect and their ability to acquire new language and other cognitive skills. These may result from organic or psychological conditions. Relatively common subtypes include DYSLEXIA, DYSCALCULIA, and DYSGRAPHIA.	3.48	2	0
Neurodevelopmental Disorders These are a group of conditions with onset in the developmental period. The disorders typically manifest early in development, often before the child enters grade school, and are characterized by developmental deficits that produce impairments of personal, social, academic, or occupational functioning. (From DSM-5).	3.09	1	0
Benign Neoplasms [description not available]	18.33	361	6
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	18.33	361	6
Long Sleeper Syndrome [description not available]	2.17	1	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	6.77	8	3
Sleep Wake Disorders Abnormal sleep-wake schedule or pattern associated with the CIRCADIAN RHYTHM which affect the length, timing, and/or rigidity of the sleep-wake cycle relative to the day-night cycle.	2.17	1	0
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	6.45	5	2
Dextro-Looped Transposition of the Great Arteries [description not available]	2.21	1	0
Transposition of Great Vessels A congenital cardiovascular malformation in which the AORTA arises entirely from the RIGHT VENTRICLE, and the PULMONARY ARTERY arises from the LEFT VENTRICLE. Consequently, the pulmonary and the systemic circulations are parallel and not sequential, so that the venous return from the peripheral circulation is re-circulated by the right ventricle via aorta to the systemic circulation without being oxygenated in the lungs. This is a potentially lethal form of heart disease in newborns and infants.	2.21	1	0
Blood Pressure, High [description not available]	5.85	8	1
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	5.85	8	1
Hyperuricemia Excessive URIC ACID or urate in blood as defined by its solubility in plasma at 37 degrees C; greater than 0.42mmol per liter (7.0mg/dL) in men or 0.36mmol per liter (6.0mg/dL) in women. This condition is caused by overproduction of uric acid or impaired renal clearance. Hyperuricemia can be acquired, drug-induced or genetically determined (LESCH-NYHAN SYNDROME). It is associated with HYPERTENSION and GOUT.	2.21	1	0
Leucocythaemia [description not available]	3.98	13	0
Central Nervous System Neoplasm [description not available]	3.95	4	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	3.98	13	0
Central Nervous System Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.	3.95	4	0
Injuries, Radiation [description not available]	2.96	4	0
Delayed Effects, Prenatal Exposure [description not available]	7.87	12	2
Coccidioides immitis Infection [description not available]	2.1	1	0
Coccidioidomycosis Infection with a fungus of the genus COCCIDIOIDES, endemic to the SOUTHWESTERN UNITED STATES. It is sometimes called valley fever but should not be confused with RIFT VALLEY FEVER. Infection is caused by inhalation of airborne, fungal particles known as arthroconidia, a form of FUNGAL SPORES. A primary form is an acute, benign, self-limited respiratory infection. A secondary form is a virulent, severe, chronic, progressive granulomatous disease with systemic involvement. It can be detected by use of COCCIDIOIDIN.	2.1	1	0
Allergic Reaction [description not available]	4.92	12	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	4.92	12	0
Occupational Injuries Injuries sustained from incidents in the course of work-related activities.	2.51	2	0
Dermatoses [description not available]	6.96	6	1
Skin Diseases Diseases involving the DERMIS or EPIDERMIS.	6.96	6	1
Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.	5.91	9	0
Cardiac Death [description not available]	2.1	1	0
Carbon Monoxide Poisoning Toxic asphyxiation due to the displacement of oxygen from oxyhemoglobin by carbon monoxide.	9.9	14	0
Anoxia-Ischemia, Brain [description not available]	2.11	1	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	2.11	1	0
Fetal Growth Restriction [description not available]	2.11	1	0
Fetal Growth Retardation Failure of a FETUS to attain expected GROWTH.	2.11	1	0
Female Genital Neoplasms [description not available]	5.41	2	1
Reproductive Sterility [description not available]	3.04	1	0
Male Genital Neoplasms [description not available]	3.04	1	0
Genital Neoplasms, Female Tumor or cancer of the female reproductive tract (GENITALIA, FEMALE).	5.41	2	1
Genital Neoplasms, Male Tumor or cancer of the MALE GENITALIA.	3.04	1	0
Infertility A reduced or absent capacity to reproduce.	3.04	1	0
Burns, Chemical Burns caused by contact with or exposure to CAUSTICS or strong ACIDS.	2.65	3	0
Burns, Electric Burns produced by contact with electric current or from a sudden discharge of electricity.	2.13	1	0
Infections, Plasmodium [description not available]	4.74	7	1
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	4.74	7	1
Bladder Cancer [description not available]	4.8	11	0
Cancer of the Thyroid [description not available]	7.47	10	3
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	4.8	11	0
Thyroid Neoplasms Tumors or cancer of the THYROID GLAND.	7.47	10	3
Disease, Pulmonary [description not available]	7.34	33	0
Lung Diseases Pathological processes involving any part of the LUNG.	7.34	33	0
Animal Diseases Diseases that occur in VERTEBRATE animals.	2.07	1	0
Liver Dysfunction [description not available]	4.89	14	0
Liver Diseases Pathological processes of the LIVER.	4.89	14	0
Rheumatism [description not available]	2.68	3	0
Rheumatic Diseases Disorders of connective tissue, especially the joints and related structures, characterized by inflammation, degeneration, or metabolic derangement.	2.68	3	0
Angina at Rest [description not available]	3.8	1	1
Angina, Unstable Precordial pain at rest, which may precede a MYOCARDIAL INFARCTION.	3.8	1	1
Weight Gain Increase in BODY WEIGHT over existing weight.	8.87	28	8
Ovine Diseases [description not available]	4.76	7	1
Haemonchiasis Infection with nematodes of the genus HAEMONCHUS, characterized by digestive abnormalities and anemia similar to that from hookworm infestation.	2.31	1	0
Trichostrongyloidiasis Infection by roundworms of the superfamily TRICHOSTRONGYLOIDEA, including the genera TRICHOSTRONGYLUS; OSTERTAGIA; Cooperia, HAEMONCHUS; Nematodirus, Hyostrongylus, and DICTYOCAULUS.	2.63	2	0
Disbacteriosis [description not available]	6.99	9	1
Bacterial Overgrowth Syndrome [description not available]	11.04	26	2
Idiopathic Parkinson Disease [description not available]	5.9	15	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	5.9	15	0
Tuberculosis, Bovine An infection of cattle caused by MYCOBACTERIUM BOVIS. It is transmissible to man and other animals.	2.31	1	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	10.4	123	9
Chronic Idiopathic Intestinal Pseudo-Obstruction [description not available]	2.41	1	0
Intestinal Pseudo-Obstruction A type of ILEUS, a functional not mechanical obstruction of the INTESTINES. This syndrome is caused by a large number of disorders involving the smooth muscles (MUSCLE, SMOOTH) or the NERVOUS SYSTEM.	2.41	1	0
Colitis, Mucous [description not available]	16.82	79	44
Colonic Inertia Symptom characterized by the passage of stool once a week or less.	14.11	48	15
Constipation Infrequent or difficult evacuation of FECES. These symptoms are associated with a variety of causes, including low DIETARY FIBER intake, emotional or nervous disturbances, systemic and structural disorders, drug-induced aggravation, and infections.	14.11	48	15
Irritable Bowel Syndrome A disorder with chronic or recurrent colonic symptoms without a clearcut etiology. This condition is characterized by chronic or recurrent ABDOMINAL PAIN, bloating, MUCUS in FECES, and an erratic disturbance of DEFECATION.	16.82	79	44
Flatus [description not available]	15.59	59	25
Flatulence Production or presence of gas in the gastrointestinal tract which may be expelled through the anus.	15.59	59	25
Epithelial Ovarian Cancer [description not available]	3.01	3	0
Cancer of Ovary [description not available]	6.89	21	1
Carcinoma, Ovarian Epithelial A malignant neoplasm that originates in cells on the surface EPITHELIUM of the ovary and is the most common form of ovarian cancer. There are five histologic subtypes: papillary serous, endometrioid, mucinous, clear cell, and transitional cell. Mutations in BRCA1, OPCML, PRKN, PIK3CA, AKT1, CTNNB1, RRAS2, and CDH1 genes are associated with this cancer.	3.01	3	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	6.89	21	1
Nephrotic Syndrome A condition characterized by severe PROTEINURIA, greater than 3.5 g/day in an average adult. The substantial loss of protein in the urine results in complications such as HYPOPROTEINEMIA; generalized EDEMA; HYPERTENSION; and HYPERLIPIDEMIAS. Diseases associated with nephrotic syndrome generally cause chronic kidney dysfunction.	2.41	1	0
Belching [description not available]	6.15	12	1
Indigestion [description not available]	4.71	3	2
Dyspepsia Impaired digestion, especially after eating.	4.71	3	2
Blood Poisoning [description not available]	10.43	15	9
Cognitive Decline [description not available]	6.47	4	2
Sepsis Associated Delirium [description not available]	2.41	1	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	10.43	15	9
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	11.47	4	2
Bleeding [description not available]	6.31	5	1
Blunt Injuries [description not available]	3.62	3	0
Hemorrhage Bleeding or escape of blood from a vessel.	6.31	5	1
Alactasia [description not available]	11.64	34	2
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	10.59	17	6
Lactose Intolerance The condition resulting from the absence or deficiency of LACTASE in the MUCOSA cells of the GASTROINTESTINAL TRACT, and the inability to break down LACTOSE in milk for ABSORPTION. Bacterial fermentation of the unabsorbed lactose leads to symptoms that range from a mild indigestion (DYSPEPSIA) to severe DIARRHEA. Lactose intolerance may be an inborn error or acquired.	16.64	34	2
Sterility, Male [description not available]	4.44	5	1
Infertility, Male The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.	4.44	5	1
Anoxemia [description not available]	7.39	19	1
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	7.39	19	1
Chronic Illness [description not available]	6.54	12	0
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	6.54	12	0
Colitis Gravis [description not available]	7.19	8	1
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	7.19	8	1
Colorectal Cancer [description not available]	9.31	23	2
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	9.31	23	2
Colicky Pain [description not available]	11.93	24	18
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	2.6	1	0
Abdominal Pain Sensation of discomfort, distress, or agony in the abdominal region.	11.93	24	18
Central Hypothyroidism [description not available]	2.41	1	0
Hypothyroidism A syndrome that results from abnormally low secretion of THYROID HORMONES from the THYROID GLAND, leading to a decrease in BASAL METABOLIC RATE. In its most severe form, there is accumulation of MUCOPOLYSACCHARIDES in the SKIN and EDEMA, known as MYXEDEMA. It may be primary or secondary due to other pituitary disease, or hypothalamic dysfunction.	2.41	1	0
Airflow Obstruction, Chronic [description not available]	9.07	8	6
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	6.48	5	1
Carcinoma, Squamous Cell of Head and Neck [description not available]	5.02	2	1
Acinetobacter Infections Infections with bacteria of the genus ACINETOBACTER.	4.72	1	1
Acute Confusional Senile Dementia [description not available]	11.48	42	9
ADDH [description not available]	4.72	1	1
Bleb [description not available]	4.72	1	1
Clostridioides difficile Infection [description not available]	5.94	2	2
Diabetes Mellitus, Adult-Onset [description not available]	7.18	10	2
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	18.32	211	91
Lassitude [description not available]	4.72	1	1
Graft-Versus-Host Disease [description not available]	5.14	3	1
Cancer of Head [description not available]	5.9	8	1
Hepatocellular Carcinoma [description not available]	9.65	20	6
Infections, Klebsiella [description not available]	4.76	2	1
Cancer of Liver [description not available]	10.79	42	7
Eperythrozoonosis [description not available]	5.02	2	1
Angiogenesis, Pathologic [description not available]	6.79	13	1
Paratyphoid Fever A prolonged febrile illness commonly caused by several Paratyphi serotypes of SALMONELLA ENTERICA. It is similar to TYPHOID FEVER but less severe.	4.72	1	1
Symptom Cluster [description not available]	5.33	4	1
Low Back Ache [description not available]	5.6	3	2
Squamous Cell Carcinoma of Head and Neck The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer.	5.02	2	1
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	11.48	42	9
Anorexia The lack or loss of APPETITE accompanied by an aversion to food and the inability to eat. It is the defining characteristic of the disorder ANOREXIA NERVOSA.	4.72	1	1
Asthenia Clinical sign or symptom manifested as debility, or lack or loss of strength and energy.	4.72	1	1
Attention Deficit Disorder with Hyperactivity A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V)	4.72	1	1
Clostridium Infections Infections with bacteria of the genus CLOSTRIDIUM and closely related CLOSTRIDIOIDES species.	5.94	2	2
Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.	6.48	4	2
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	7.18	10	2
Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION.	9.9	2	1
Fatigue The state of weariness following a period of exertion, mental or physical, characterized by a decreased capacity for work and reduced efficiency to respond to stimuli.	4.72	1	1
Graft vs Host Disease The clinical entity characterized by anorexia, diarrhea, loss of hair, leukopenia, thrombocytopenia, growth retardation, and eventual death brought about by the GRAFT VS HOST REACTION.	5.14	3	1
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	5.9	8	1
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	9.65	20	6
Klebsiella Infections Infections with bacteria of the genus KLEBSIELLA.	4.76	2	1
Liver Neoplasms Tumors or cancer of the LIVER.	10.79	42	7
Syndrome A characteristic symptom complex.	10.33	4	1
Urinary Tract Infections Inflammatory responses of the epithelium of the URINARY TRACT to microbial invasions. They are often bacterial infections with associated BACTERIURIA and PYURIA.	5.24	4	1
Low Back Pain Acute or chronic pain in the lumbar or sacral regions, which may be associated with musculo-ligamentous SPRAINS AND STRAINS; INTERVERTEBRAL DISK DISPLACEMENT; and other conditions.	5.6	3	2
Pulmonary Disease, Chronic Obstructive A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.	9.07	8	6
Suicidal Ideation A risk factor for suicide attempts and completions, it is the most common of all suicidal behavior, but only a minority of ideators engage in overt self-harm.	4.72	1	1
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	6.48	5	1
Trichostrongylosis Infestation with nematode worms of the genus TRICHOSTRONGYLUS. Man and animals become infected by swallowing larvae, usually with contaminated food or drink, although the larvae may penetrate human skin.	3.99	1	1
Cerebral Ischemia [description not available]	10.04	14	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	5.04	14	0
Adenocarcinoma, Basal Cell [description not available]	7.75	21	2
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	7.75	21	2
Pyrexia [description not available]	3.04	4	0
Fever An abnormal elevation of body temperature, usually as a result of a pathologic process.	3.04	4	0
Malignant Melanoma [description not available]	6.06	25	0
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	6.06	25	0
Bladder Calculi [description not available]	2.6	1	0
Innate Inflammatory Response [description not available]	14.79	192	18
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	14.79	192	18
Cholera Infantum [description not available]	12.88	41	2
Impaired Glucose Tolerance [description not available]	7.44	2	0
Bacterial Disease [description not available]	11.91	38	2
Acute Edematous Pancreatitis [description not available]	3.03	4	0
Bacterial Infections Infections by bacteria, general or unspecified.	11.91	38	2
Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis.	3.03	4	0
Glucose Intolerance A pathological state in which BLOOD GLUCOSE level is less than approximately 140 mg/100 ml of PLASMA at fasting, and above approximately 200 mg/100 ml plasma at 30-, 60-, or 90-minute during a GLUCOSE TOLERANCE TEST. This condition is seen frequently in DIABETES MELLITUS, but also occurs with other diseases and MALNUTRITION.	7.44	2	0
Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	7.63	129	0
Experimental Neoplasms [description not available]	7.19	64	0
Candida Infection [description not available]	2.66	3	0
Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)	2.66	3	0
Cancer of Colon [description not available]	10.41	47	5
Colonic Neoplasms Tumors or cancer of the COLON.	10.41	47	5
Malnourishment [description not available]	5.34	3	1
Malnutrition An imbalanced nutritional status resulting from insufficient intake of nutrients to meet normal physiological requirement.	5.34	3	1
Carcinoma, Non-Small Cell Lung [description not available]	7.61	12	1
Cancer of Lung [description not available]	11.38	104	1
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	7.61	12	1
Lung Neoplasms Tumors or cancer of the LUNG.	11.38	104	1
Disease Exacerbation [description not available]	14.89	59	50
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	4.39	1	1
Recrudescence [description not available]	7.75	5	3
Acute Liver Injury, Drug-Induced [description not available]	7.56	18	2
Encephalopathy, Traumatic [description not available]	6.6	5	2
Rheumatoid Arthritis [description not available]	7.12	7	3
Death, Sudden The abrupt cessation of all vital bodily functions, manifested by the permanent loss of total cerebral, respiratory, and cardiovascular functions.	4.39	1	1
Esophageal Varices [description not available]	4.39	1	1
Astrocytosis [description not available]	4.39	1	1
Hematochezia The passage of bright red blood from the rectum. The blood may or may not be mixed with formed stool in the form of blood, blood clots, bloody stool or diarrhea.	4.39	1	1
Cirrhoses, Experimental Liver [description not available]	4.39	1	1
Dent Disease X-linked recessive NEPHROLITHIASIS characterized by HYPERCALCIURIA; HYPOPHOSPHATEMIA; NEPHROCALCINOSIS; and PROTEINURIA. It is associated with mutations in the voltage-gated chloride channel, CLC-5 (Dent Disease I). Another group of mutations associated with this disease is in phosphatidylinositol 4,5-bisphosphate-5-phosphatase gene.	4.39	1	1
Local Neoplasm Recurrence [description not available]	11.17	22	14
Brain Injuries, Traumatic A form of acquired brain injury which occurs when a sudden trauma causes damage to the brain.	6.6	5	2
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	7.12	7	3
Esophageal and Gastric Varices Dilated blood vessels in the ESOPHAGUS or GASTRIC FUNDUS that shunt blood from the portal circulation (PORTAL SYSTEM) to the systemic venous circulation. Often they are observed in individuals with portal hypertension (HYPERTENSION, PORTAL).	4.39	1	1
Gastrointestinal Hemorrhage Bleeding in any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM.	4.39	1	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	16.1	615	8
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	7.56	18	2
Diffuse Parenchymal Lung Disease [description not available]	4.43	1	1
Hibernation, Myocardial [description not available]	4.43	1	1
Tuberculosis, Drug-Resistant [description not available]	4.43	1	1
Infections, Coronavirus [description not available]	9.85	10	9
Chronic Hepatitis B [description not available]	4.43	1	1
Anterior Cerebral Circulation Infarction [description not available]	4.43	1	1
Diffuse Lymphocytic Lymphoma, Poorly-Differentiated [description not available]	4.43	1	1
Ductal Carcinoma [description not available]	4.43	1	1
Gastrointestinal Stromal Neoplasm [description not available]	4.43	1	1
Complications of Diabetes Mellitus [description not available]	4.43	1	1
Overweight A status with BODY WEIGHT that is above certain standards. In the scale of BODY MASS INDEX, overweight is defined as having a BMI of 25.0-29.9 kg/m2. Overweight may or may not be due to increases in body fat (ADIPOSE TISSUE), hence overweight does not equal over fat.	4.85	2	1
Atherogenesis [description not available]	8.85	15	4
Bone Fractures [description not available]	8.11	20	1
Chronic Kidney Diseases [description not available]	8.19	10	4
Primary Graft Dysfunction A form of ischemia-reperfusion injury occurring in the early period following transplantation. Significant pathophysiological changes in MITOCHONDRIA are the main cause of the dysfunction. It is most often seen in the transplanted lung, liver, or kidney and can lead to GRAFT REJECTION.	4.43	1	1
Lung Injury, Acute [description not available]	6.37	8	1
Airway Remodeling The structural changes in the number, mass, size and/or composition of the airway tissues.	5.48	5	1
Atheroma [description not available]	5.82	4	1
Lower Urinary Tract Symptom [description not available]	4.43	1	1
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	16.69	31	10
Adolescent Obesity [description not available]	4.43	1	1
Allergic Rhinitis [description not available]	4.43	1	1
Thyroid Cancer, Anaplastic [description not available]	4.43	1	1
Familial Nonmedullary Thyroid Cancer [description not available]	5.82	4	1
Esophageal Squamous Cell Carcinoma A carcinoma that originates usually from cells on the surface of the middle and lower third of the ESOPHAGUS. Tumor cells exhibit typical squamous morphology and form large polypoid lesions. Mutations in RNF6, LZTS1, TGFBR2, DEC1, and WWOX1 genes are associated with this cancer.	4.9	2	1
Amaurosis [description not available]	4.43	1	1
Bone Loss, Osteoclastic [description not available]	5.4	5	1
Benign Neoplasms, Brain [description not available]	7.29	22	1
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	4.79	2	1
Adenocarcinoma Of Kidney [description not available]	8.11	8	4
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	8.61	24	1
Alloxan Diabetes [description not available]	5.47	5	1
Autoimmune Diabetes [description not available]	5.65	6	1
Anasarca [description not available]	5.24	4	1
Cutis Elastica [description not available]	4.43	1	1
E coli Infections [description not available]	6.56	9	2
Cancer of Esophagus [description not available]	6.27	4	2
Exanthem [description not available]	5.97	2	2
Glial Cell Tumors [description not available]	7.34	21	2
Extravascular Hemolysis [description not available]	6.93	25	1
Hepatitis B Virus Infection [description not available]	7.99	7	4
Fasting Hypoglycemia HYPOGLYCEMIA expressed in the postabsorptive state, after prolonged FASTING, or an overnight fast.	4.43	1	1
Chronic Insomnia [description not available]	4.43	1	1
Hypermobility, Joint [description not available]	7.31	25	1
Chronic Kidney Failure [description not available]	4.79	2	1
Cancer of Kidney [description not available]	8.55	11	4
Cirrhosis, Liver [description not available]	6.93	9	2
B16 Melanoma [description not available]	6.28	12	1
Muscle Disorders [description not available]	4.96	3	1
Metastase [description not available]	9.04	19	5
Morbid Obesity [description not available]	7	6	5
Age-Related Osteoporosis [description not available]	8.78	12	4
Cancer of Pancreas [description not available]	13.21	39	26
Prediabetes [description not available]	4.84	2	1
Acute Respiratory Distress Syndrome [description not available]	4.43	1	1
Acute Hypercapnic Respiratory Failure [description not available]	4.69	2	1
Cancer of Salivary Gland [description not available]	4.43	1	1
Hemorrhagic Shock [description not available]	4.95	3	1
Cancer of Skin [description not available]	7.9	12	2
Blood Clot [description not available]	6.23	12	1
Pulmonary Consumption [description not available]	4.43	1	1
Deficiency, Vitamin D [description not available]	4.43	1	1
Injuries Used with anatomic headings, animals, and sports for wounds and injuries. Excludes cell damage, for which pathology is used.	6.24	7	1
Injury, Ischemia-Reperfusion [description not available]	8.78	21	2
HIV Coinfection [description not available]	5.96	5	1
Bone Loss, Perimenopausal [description not available]	4.43	1	1
Bacterial Infections, Gram-Negative [description not available]	8.64	11	5
Carcinoma, Ductal, Pancreatic [description not available]	6.48	4	2
Hangman Fracture [description not available]	5.56	3	1
Idiopathic Interstitial Pneumonia [description not available]	4.43	1	1
Eye Infections, Fungal Infection by a variety of fungi, usually through four possible mechanisms: superficial infection producing conjunctivitis, keratitis, or lacrimal obstruction; extension of infection from neighboring structures - skin, paranasal sinuses, nasopharynx; direct introduction during surgery or accidental penetrating trauma; or via the blood or lymphatic routes in patients with underlying mycoses.	4.43	1	1
Invasiveness, Neoplasm [description not available]	6.78	11	2
Cell Transformation, Viral An inheritable change in cells manifested by changes in cell division and growth and alterations in cell surface properties. It is induced by infection with a transforming virus.	4.71	2	1
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	7.74	21	2
Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES.	5.59	5	1
Blindness The inability to see or the loss or absence of perception of visual stimuli. This condition may be the result of EYE DISEASES; OPTIC NERVE DISEASES; OPTIC CHIASM diseases; or BRAIN DISEASES affecting the VISUAL PATHWAYS or OCCIPITAL LOBE.	4.43	1	1
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	7.29	22	1
Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.	8.11	8	4
Connective Tissue Diseases A heterogeneous group of disorders, some hereditary, others acquired, characterized by abnormal structure or function of one or more of the elements of connective tissue, i.e., collagen, elastin, or the mucopolysaccharides.	4.43	1	1
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	7.27	14	1
Diabetes Mellitus, Type 1 A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.	5.65	6	1
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	5.24	4	1
Ehlers-Danlos Syndrome A heterogeneous group of autosomally inherited COLLAGEN DISEASES caused by defects in the synthesis or structure of FIBRILLAR COLLAGEN. There are numerous subtypes: classical, hypermobility, vascular, and others. Common clinical features include hyperextensible skin and joints, skin fragility and reduced wound healing capability.	4.43	1	1
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	6.56	9	2
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	6.27	4	2
Exanthema Diseases in which skin eruptions or rashes are a prominent manifestation. Classically, six such diseases were described with similar rashes; they were numbered in the order in which they were reported. Only the fourth (Duke's disease), fifth (ERYTHEMA INFECTIOSUM), and sixth (EXANTHEMA SUBITUM) numeric designations survive as occasional synonyms in current terminology.	5.97	2	2
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	7.34	21	2
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	6.93	25	1
Hepatitis B INFLAMMATION of the LIVER in humans caused by a member of the ORTHOHEPADNAVIRUS genus, HEPATITIS B VIRUS. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact.	7.99	7	4
Hypoglycemia A syndrome of abnormally low BLOOD GLUCOSE level. Clinical hypoglycemia has diverse etiologies. Severe hypoglycemia eventually lead to glucose deprivation of the CENTRAL NERVOUS SYSTEM resulting in HUNGER; SWEATING; PARESTHESIA; impaired mental function; SEIZURES; COMA; and even DEATH.	4.43	1	1
Sleep Initiation and Maintenance Disorders Disorders characterized by impairment of the ability to initiate or maintain sleep. This may occur as a primary disorder or in association with another medical or psychiatric condition.	4.43	1	1
Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.	4.79	2	1
Kidney Neoplasms Tumors or cancers of the KIDNEY.	8.55	11	4
Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.	6.93	9	2
Muscular Diseases Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE.	4.96	3	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	7.8	28	1
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	9.04	19	5
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	6.27	12	1
Obesity, Morbid The condition of weighing two, three, or more times the ideal weight, so called because it is associated with many serious and life-threatening disorders. In the BODY MASS INDEX, morbid obesity is defined as having a BMI greater than 40.0 kg/m2.	7	6	5
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	8.78	12	4
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	13.21	39	26
Pneumonia, Viral Inflammation of the lung parenchyma that is caused by a viral infection.	9.93	11	9
Prediabetic State The time period before the development of symptomatic diabetes. For example, certain risk factors can be observed in subjects who subsequently develop INSULIN RESISTANCE as in type 2 diabetes (DIABETES MELLITUS, TYPE 2).	4.84	2	1
Respiratory Distress Syndrome A syndrome characterized by progressive life-threatening RESPIRATORY INSUFFICIENCY in the absence of known LUNG DISEASES, usually following a systemic insult such as surgery or major TRAUMA.	4.43	1	1
Respiratory Insufficiency Failure to adequately provide oxygen to cells of the body and to remove excess carbon dioxide from them. (Stedman, 25th ed)	4.69	2	1
Salivary Gland Neoplasms Tumors or cancer of the SALIVARY GLANDS.	4.43	1	1
Skin Neoplasms Tumors or cancer of the SKIN.	7.9	12	2
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	6.23	12	1
Tuberculosis, Pulmonary MYCOBACTERIUM infections of the lung.	4.43	1	1
Uveitis Inflammation of part or all of the uvea, the middle (vascular) tunic of the eye, and commonly involving the other tunics (sclera and cornea, and the retina). (Dorland, 27th ed)	4.43	1	1
Vitamin D Deficiency A nutritional condition produced by a deficiency of VITAMIN D in the diet, insufficient production of vitamin D in the skin, inadequate absorption of vitamin D from the diet, or abnormal conversion of vitamin D to its bioactive metabolites. It is manifested clinically as RICKETS in children and OSTEOMALACIA in adults. (From Cecil Textbook of Medicine, 19th ed, p1406)	4.43	1	1
Wounds and Injuries Damage inflicted on the body as the direct or indirect result of an external force, with or without disruption of structural continuity.	6.24	7	1
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	8.78	21	2
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	5.96	5	1
Osteoporosis, Postmenopausal Metabolic disorder associated with fractures of the femoral neck, vertebrae, and distal forearm. It occurs commonly in women within 15-20 years after menopause, and is caused by factors associated with menopause including estrogen deficiency.	4.43	1	1
Spinal Fractures Broken bones in the vertebral column.	5.56	3	1
Gram-Negative Bacterial Infections Infections caused by bacteria that show up as pink (negative) when treated by the gram-staining method.	8.64	11	5
Lung Diseases, Interstitial A diverse group of lung diseases that affect the lung parenchyma. They are characterized by an initial inflammation of PULMONARY ALVEOLI that extends to the interstitium and beyond leading to diffuse PULMONARY FIBROSIS. Interstitial lung diseases are classified by their etiology (known or unknown causes), and radiological-pathological features.	4.43	1	1
Tuberculosis, Multidrug-Resistant Tuberculosis resistant to chemotherapy with two or more ANTITUBERCULAR AGENTS, including at least ISONIAZID and RIFAMPICIN. The problem of resistance is particularly troublesome in tuberculous OPPORTUNISTIC INFECTIONS associated with HIV INFECTIONS. It requires the use of second line drugs which are more toxic than the first line regimens. TB with isolates that have developed further resistance to at least three of the six classes of second line drugs is defined as EXTENSIVELY DRUG-RESISTANT TUBERCULOSIS.	4.43	1	1
Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).	9.85	10	9
Hepatitis B, Chronic INFLAMMATION of the LIVER in humans caused by HEPATITIS B VIRUS lasting six months or more. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact.	4.43	1	1
Brain Infarction Tissue NECROSIS in any area of the brain, including the CEREBRAL HEMISPHERES, the CEREBELLUM, and the BRAIN STEM. Brain infarction is the result of a cascade of events initiated by inadequate blood flow through the brain that is followed by HYPOXIA and HYPOGLYCEMIA in brain tissue. Damage may be temporary, permanent, selective or pan-necrosis.	4.43	1	1
Lymphoma, Mantle-Cell A form of non-Hodgkin lymphoma having a usually diffuse pattern with both small and medium lymphocytes and small cleaved cells. It accounts for about 5% of adult non-Hodgkin lymphomas in the United States and Europe. The majority of mantle-cell lymphomas are associated with a t(11;14) translocation resulting in overexpression of the CYCLIN D1 gene (GENES, BCL-1).	4.43	1	1
Carcinoma, Pancreatic Ductal Carcinoma that arises from the PANCREATIC DUCTS. It accounts for the majority of cancers derived from the PANCREAS.	6.48	4	2
Carcinoma, Ductal Malignant neoplasms involving the ductal systems of any of a number of organs, such as the MAMMARY GLANDS, the PANCREAS, the PROSTATE, or the LACRIMAL GLAND.	4.43	1	1
Gastrointestinal Stromal Tumors All tumors in the GASTROINTESTINAL TRACT arising from mesenchymal cells (MESODERM) except those of smooth muscle cells (LEIOMYOMA) or Schwann cells (SCHWANNOMA).	4.43	1	1
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	13.85	15	4
Fractures, Bone Breaks in bones.	8.11	20	1
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	8.19	10	4
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	6.37	8	1
Rhinitis, Allergic An inflammation of the NASAL MUCOSA triggered by ALLERGENS.	4.43	1	1
Thyroid Carcinoma, Anaplastic An aggressive THYROID GLAND malignancy which generally occurs in IODINE-deficient areas in people with previous thyroid pathology such as GOITER. It is associated with CELL DEDIFFERENTIATION of THYROID CARCINOMA (e.g., FOLLICULAR THYROID CARCINOMA; PAPILLARY THYROID CANCER). Typical initial presentation is a rapidly growing neck mass which upon metastasis is associated with DYSPHAGIA; NECK PAIN; bone pain; DYSPNEA; and NEUROLOGIC DEFICITS.	4.43	1	1
Bowel Diseases, Inflammatory [description not available]	8.42	12	1
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	13.42	12	1
Celiac Sprue [description not available]	7.31	9	1
Celiac Disease A malabsorption syndrome that is precipitated by the ingestion of foods containing GLUTEN, such as wheat, rye, and barley. It is characterized by INFLAMMATION of the SMALL INTESTINE, loss of MICROVILLI structure, failed INTESTINAL ABSORPTION, and MALNUTRITION.	7.31	9	1
Infectious Diseases [description not available]	5.78	7	0
Communicable Diseases An illness caused by an infectious agent or its toxins that occurs through the direct or indirect transmission of the infectious agent or its products from an infected individual or via an animal, vector or the inanimate environment to a susceptible animal or human host.	5.78	7	0
Dysplastic Nevus Syndrome, Hereditary [description not available]	2.76	2	0
Asystole [description not available]	2.25	1	0
Heart Arrest Cessation of heart beat or MYOCARDIAL CONTRACTION. If it is treated within a few minutes, heart arrest can be reversed in most cases to normal cardiac rhythm and effective circulation.	2.25	1	0
Malabsorption Syndromes General term for a group of MALNUTRITION syndromes caused by failure of normal INTESTINAL ABSORPTION of nutrients.	9.2	19	4
Paralysis, Legs [description not available]	2.44	2	0
Flaccid Quadriplegia [description not available]	2.31	1	0
Injuries, Spinal Cord [description not available]	5.17	10	0
Acute Disease Disease having a short and relatively severe course.	5.68	19	1
Paraplegia Severe or complete loss of motor function in the lower extremities and lower portions of the trunk. This condition is most often associated with SPINAL CORD DISEASES, although BRAIN DISEASES; PERIPHERAL NERVOUS SYSTEM DISEASES; NEUROMUSCULAR DISEASES; and MUSCULAR DISEASES may also cause bilateral leg weakness.	2.44	2	0
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	5.17	10	0
Apnea, Obstructive Sleep [description not available]	5.12	2	1
Apnea, Central [description not available]	2.31	1	0
Corneal Diseases Diseases of the cornea.	2.31	1	0
Sleep Apnea, Obstructive A disorder characterized by recurrent apneas during sleep despite persistent respiratory efforts. It is due to upper airway obstruction. The respiratory pauses may induce HYPERCAPNIA or HYPOXIA. Cardiac arrhythmias and elevation of systemic and pulmonary arterial pressures may occur. Frequent partial arousals occur throughout sleep, resulting in relative SLEEP DEPRIVATION and daytime tiredness. Associated conditions include OBESITY; ACROMEGALY; MYXEDEMA; micrognathia; MYOTONIC DYSTROPHY; adenotonsilar dystrophy; and NEUROMUSCULAR DISEASES. (From Adams et al., Principles of Neurology, 6th ed, p395)	5.12	2	1
Sleep Apnea, Central A condition associated with multiple episodes of sleep apnea which are distinguished from obstructive sleep apnea (SLEEP APNEA, OBSTRUCTIVE) by the complete cessation of efforts to breathe. This disorder is associated with dysfunction of central nervous system centers that regulate respiration.	2.31	1	0
Achalasia [description not available]	2.31	1	0
Esophageal Achalasia A motility disorder of the ESOPHAGUS in which the LOWER ESOPHAGEAL SPHINCTER (near the CARDIA) fails to relax resulting in functional obstruction of the esophagus, and DYSPHAGIA. Achalasia is characterized by a grossly contorted and dilated esophagus (megaesophagus).	2.31	1	0
Amyloid Neuropathy Type 1 [description not available]	2.31	1	0
Amyloid Neuropathies, Familial Inherited disorders of the peripheral nervous system associated with the deposition of AMYLOID in nerve tissue. The different clinical types based on symptoms correspond to the presence of a variety of mutations in several different proteins including transthyretin (PREALBUMIN); APOLIPOPROTEIN A-I; and GELSOLIN.	2.31	1	0
Diabetes Mellitus, Gestational [description not available]	2.31	1	0
Diabetes, Gestational Diabetes mellitus induced by PREGNANCY but resolved at the end of pregnancy. It does not include previously diagnosed diabetics who become pregnant (PREGNANCY IN DIABETICS). Gestational diabetes usually develops in late pregnancy when insulin antagonistic hormones peaks leading to INSULIN RESISTANCE; GLUCOSE INTOLERANCE; and HYPERGLYCEMIA.	2.31	1	0
Encephalopathy, Toxic [description not available]	3.05	4	0
Brain Disorders [description not available]	5.11	7	0
Brain Diseases Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.	5.11	7	0
Intestinal Diseases Pathological processes in any segment of the INTESTINE from DUODENUM to RECTUM.	10.36	7	0
Astrocytoma, Grade IV [description not available]	5.32	19	0
Granulocytic Leukemia, Chronic [description not available]	3.03	4	0
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	5.32	19	0
Leukemia, Myelogenous, Chronic, BCR-ABL Positive Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS.	3.03	4	0
Cranial Nerve II Injuries [description not available]	2.15	1	0
Retinal Degeneration A retrogressive pathological change in the retina, focal or generalized, caused by genetic defects, inflammation, trauma, vascular disease, or aging. Degeneration affecting predominantly the macula lutea of the retina is MACULAR DEGENERATION. (Newell, Ophthalmology: Principles and Concepts, 7th ed, p304)	2.55	2	0
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	9.24	27	2
Infections, Nematode [description not available]	2.15	1	0
Adipocere [description not available]	3.14	5	0
Community Acquired Infection [description not available]	2.17	1	0
Brain Abscess A circumscribed collection of purulent exudate in the brain, due to bacterial and other infections. The majority are caused by spread of infected material from a focus of suppuration elsewhere in the body, notably the PARANASAL SINUSES, middle ear (see EAR, MIDDLE); HEART (see also ENDOCARDITIS, BACTERIAL), and LUNG. Penetrating CRANIOCEREBRAL TRAUMA and NEUROSURGICAL PROCEDURES may also be associated with this condition. Clinical manifestations include HEADACHE; SEIZURES; focal neurologic deficits; and alterations of consciousness. (Adams et al., Principles of Neurology, 6th ed, pp712-6)	2.17	1	0
Bacterial Infections, Gram-Positive [description not available]	2.17	1	0
Infections, Pasteurellaceae [description not available]	2.17	1	0
Gram-Positive Bacterial Infections Infections caused by bacteria that retain the crystal violet stain (positive) when treated by the gram-staining method.	2.17	1	0
Acute Kidney Failure [description not available]	3.55	8	0
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	8.55	8	0
Ache [description not available]	9.93	13	7
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	9.93	13	7
Coronary Heart Disease [description not available]	2.88	4	0
Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.	2.88	4	0
Cystic Fibrosis of Pancreas [description not available]	3.33	6	0
Cystic Fibrosis An autosomal recessive genetic disease of the EXOCRINE GLANDS. It is caused by mutations in the gene encoding the CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR expressed in several organs including the LUNG, the PANCREAS, the BILIARY SYSTEM, and the SWEAT GLANDS. Cystic fibrosis is characterized by epithelial secretory dysfunction associated with ductal obstruction resulting in AIRWAY OBSTRUCTION; chronic RESPIRATORY INFECTIONS; PANCREATIC INSUFFICIENCY; maldigestion; salt depletion; and HEAT PROSTRATION.	8.33	6	0
Proctocele [description not available]	2.17	1	0
Pain, Chronic [description not available]	2.17	1	0
Chronic Pain Aching sensation that persists for more than a few months. It may or may not be associated with trauma or disease, and may persist after the initial injury has healed. Its localization, character, and timing are more vague than with acute pain.	2.17	1	0
Acute Mesenteric Arterial Embolus [description not available]	3.51	2	0
Encephalopathy, Hepatic [description not available]	2.67	3	0
Hepatic Encephalopathy A syndrome characterized by central nervous system dysfunction in association with LIVER FAILURE, including portal-systemic shunts. Clinical features include lethargy and CONFUSION (frequently progressing to COMA); ASTERIXIS; NYSTAGMUS, PATHOLOGIC; brisk oculovestibular reflexes; decorticate and decerebrate posturing; MUSCLE SPASTICITY; and bilateral extensor plantar reflexes (see REFLEX, BABINSKI). ELECTROENCEPHALOGRAPHY may demonstrate triphasic waves. (From Adams et al., Principles of Neurology, 6th ed, pp1117-20; Plum & Posner, Diagnosis of Stupor and Coma, 3rd ed, p222-5)	2.67	3	0
Central Nervous System Disease [description not available]	6.71	9	0
Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.	6.71	9	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	2.17	1	0
Compensatory Hyperinsulinemia A GLUCOSE-induced HYPERINSULINEMIA, a marker of insulin-resistant state. It is a mechanism to compensate for reduced sensitivity to insulin.	3.89	2	1
Insulin Sensitivity [description not available]	4.99	2	1
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	2.17	1	0
Hyperinsulinism A syndrome with excessively high INSULIN levels in the BLOOD. It may cause HYPOGLYCEMIA. Etiology of hyperinsulinism varies, including hypersecretion of a beta cell tumor (INSULINOMA); autoantibodies against insulin (INSULIN ANTIBODIES); defective insulin receptor (INSULIN RESISTANCE); or overuse of exogenous insulin or HYPOGLYCEMIC AGENTS.	3.89	2	1
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	4.99	2	1
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	2.69	3	0
Milk-Alkali Syndrome [description not available]	2.39	2	0
Hypercalcemia Abnormally high level of calcium in the blood.	2.39	2	0
Intestinal Perforation Opening or penetration through the wall of the INTESTINES.	2.4	2	0
Primary Peritonitis [description not available]	2.51	2	0
Peritonitis INFLAMMATION of the PERITONEUM lining the ABDOMINAL CAVITY as the result of infectious, autoimmune, or chemical processes. Primary peritonitis is due to infection of the PERITONEAL CAVITY via hematogenous or lymphatic spread and without intra-abdominal source. Secondary peritonitis arises from the ABDOMINAL CAVITY itself through RUPTURE or ABSCESS of intra-abdominal organs.	2.51	2	0
Neurogenic Inflammation Inflammation caused by an injurious stimulus of peripheral neurons and resulting in release of neuropeptides which affect vascular permeability and help initiate proinflammatory and immune reactions at the site of injury.	2.21	1	0
Complication, Postoperative [description not available]	10.89	36	7
Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery.	10.89	36	7
Cancer of Prostate [description not available]	9.09	41	4
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	9.09	41	4
Dermatitis, Contact, Phototoxic [description not available]	2.21	1	0
Animal Mammary Carcinoma [description not available]	3.46	7	0
Mouth Breathing Abnormal breathing through the mouth, usually associated with obstructive disorders of the nasal passages.	3.47	1	1
Suffocation [description not available]	3.47	8	0
Brain Swelling [description not available]	2.08	1	0
Edema, Pulmonary [description not available]	2.71	3	0
Petechiae Pinhead size (3 mm) skin discolorization due to hemorrhage.	2.37	2	0
Asphyxia A pathological condition caused by lack of oxygen, manifested in impending or actual cessation of life.	3.47	8	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	2.08	1	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	2.71	3	0
Purpura Purplish or brownish red discoloration, easily visible through the epidermis, caused by hemorrhage into the tissues. When the size of the discolorization is	2.37	2	0
Asbestosis A form of pneumoconiosis caused by inhalation of asbestos fibers which elicit potent inflammatory responses in the parenchyma of the lung. The disease is characterized by interstitial fibrosis of the lung, varying from scattered sites to extensive scarring of the alveolar interstitium.	2.96	4	0
Fistula Abnormal communication most commonly seen between two internal organs, or between an internal organ and the surface of the body.	2.67	3	0
Acquired Meningomyelocele [description not available]	2.47	2	0
Colonic Pseudo-Obstruction Functional obstruction of the COLON leading to MEGACOLON in the absence of obvious COLONIC DISEASES or mechanical obstruction. When this condition is acquired, acute, and coexisting with another medical condition (trauma, surgery, serious injuries or illness, or medication), it is called Ogilvie's syndrome.	2.1	1	0
Cholecystoduodenal Fistula [description not available]	2.1	1	0
ALDOB Deficiency [description not available]	2.51	2	0
Gastric Fistula Abnormal passage communicating with the STOMACH.	2.11	1	0
Asymmetric Diabetic Proximal Motor Neuropathy [description not available]	2.58	2	0
Diabetic Neuropathies Peripheral, autonomic, and cranial nerve disorders that are associated with DIABETES MELLITUS. These conditions usually result from diabetic microvascular injury involving small blood vessels that supply nerves (VASA NERVORUM). Relatively common conditions which may be associated with diabetic neuropathy include third nerve palsy (see OCULOMOTOR NERVE DISEASES); MONONEUROPATHY; mononeuropathy multiplex; diabetic amyotrophy; a painful POLYNEUROPATHY; autonomic neuropathy; and thoracoabdominal neuropathy. (From Adams et al., Principles of Neurology, 6th ed, p1325)	2.58	2	0
Disease A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown.	11.04	21	0
Pericementitis [description not available]	3.39	2	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	3.39	2	0
Air Embolism [description not available]	2.11	1	0
Cattle Plague [description not available]	2.13	1	0
Carbohydrate Metabolism, Inborn Error [description not available]	2.65	3	0
Dizzyness [description not available]	2.11	1	0
Daytime Sleepiness [description not available]	2.11	1	0
Dizziness An imprecise term which may refer to a sense of spatial disorientation, motion of the environment, or lightheadedness.	2.11	1	0
Disorders of Excessive Somnolence Disorders characterized by hypersomnolence during normal waking hours that may impair cognitive functioning. Subtypes include primary hypersomnia disorders (e.g., IDIOPATHIC HYPERSOMNOLENCE; NARCOLEPSY; and KLEINE-LEVIN SYNDROME) and secondary hypersomnia disorders where excessive somnolence can be attributed to a known cause (e.g., drug affect, MENTAL DISORDERS, and SLEEP APNEA SYNDROME). (From J Neurol Sci 1998 Jan 8;153(2):192-202; Thorpy, Principles and Practice of Sleep Medicine, 2nd ed, p320)	2.11	1	0
Poisoning Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure.	5.12	18	0
Autoimmune Chronic Hepatitis [description not available]	2.13	1	0
Hepatitis, Autoimmune A chronic self-perpetuating hepatocellular INFLAMMATION of unknown cause, usually with HYPERGAMMAGLOBULINEMIA and serum AUTOANTIBODIES.	2.13	1	0
Low Bone Density [description not available]	2.13	1	0
Bone Diseases, Metabolic Diseases that affect the METABOLIC PROCESSES of BONE TISSUE.	2.13	1	0
Diverticula [description not available]	3.63	3	0
Calculus, Dental [description not available]	2.68	3	0
Acute Relapsing Multiple Sclerosis [description not available]	7.49	16	0
Multiple Sclerosis, Relapsing-Remitting The most common clinical variant of MULTIPLE SCLEROSIS, characterized by recurrent acute exacerbations of neurologic dysfunction followed by partial or complete recovery. Common clinical manifestations include loss of visual (see OPTIC NEURITIS), motor, sensory, or bladder function. Acute episodes of demyelination may occur at any site in the central nervous system, and commonly involve the optic nerves, spinal cord, brain stem, and cerebellum. (Adams et al., Principles of Neurology, 6th ed, pp903-914)	7.49	16	0
Infections, Helicobacter [description not available]	4.14	3	1
Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease.	4.14	3	1
Metabolic Acidosis [description not available]	4.87	8	1
Bovine Diseases [description not available]	5.38	7	2
Acidosis A pathologic condition of acid accumulation or depletion of base in the body. The two main types are RESPIRATORY ACIDOSIS and metabolic acidosis, due to metabolic acid build up.	9.87	8	1
Koch's Disease [description not available]	5.15	10	0
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	10.15	10	0
Deep Vein Thrombosis [description not available]	2.49	2	0
Venous Thrombosis The formation or presence of a blood clot (THROMBUS) within a vein.	2.49	2	0
Experimental Spinal Cord Ischemia [description not available]	2.15	1	0
Amyloid Deposits [description not available]	2.37	2	0
Colitis, Granulomatous [description not available]	3.62	3	0
Crohn Disease A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients.	3.62	3	0
Bovine Spongiform Encephalopathy [description not available]	2.04	1	0
Dementias, Transmissible [description not available]	3.68	3	0
Parodontosis [description not available]	2.76	3	0
Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT.	2.76	3	0
Hyperventilation A pulmonary ventilation rate faster than is metabolically necessary for the exchange of gases. It is the result of an increased frequency of breathing, an increased tidal volume, or a combination of both. It causes an excess intake of oxygen and the blowing off of carbon dioxide.	7.01	5	0
Infections, Respiratory [description not available]	3.12	5	0
Respiratory Tract Infections Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.	3.12	5	0
Infections, Pseudomonas [description not available]	4.16	6	0
Pseudomonas Infections Infections with bacteria of the genus PSEUDOMONAS.	4.16	6	0
Gastric Stasis [description not available]	3.39	2	0
Gastroparesis Chronic delayed gastric emptying. Gastroparesis may be caused by motor dysfunction or paralysis of STOMACH muscles or may be associated with other systemic diseases such as DIABETES MELLITUS.	3.39	2	0
Fecal Impaction Formation of a firm impassable mass of stool in the RECTUM or distal COLON.	2.05	1	0
Encopresis Incontinence of feces not due to organic defect or illness.	2.41	2	0
Coma A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION.	2.05	1	0
Near Drowning Non-fatal immersion or submersion in water. The subject is resuscitable.	2.05	1	0
Agricultural Worker Disease [description not available]	2.67	3	0
Lethargy A general state of sluggishness, listless, or uninterested, with being tired, and having difficulty concentrating and doing simple tasks. It may be related to DEPRESSION or DRUG ADDICTION.	11.36	17	16
Narcosis A state of depressed CENTRAL NERVOUS SYSTEM marked by stupor or insensibility.	1.92	1	0
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	8.89	13	0
Corynebacterium diphtheriae Infection [description not available]	1.92	1	0
Diphtheria A localized infection of mucous membranes or skin caused by toxigenic strains of CORYNEBACTERIUM DIPHTHERIAE. It is characterized by the presence of a pseudomembrane at the site of infection. DIPHTHERIA TOXIN, produced by C. diphtheriae, can cause myocarditis, polyneuritis, and other systemic toxic effects.	6.92	1	0
Methemoglobinemia The presence of methemoglobin in the blood, resulting in cyanosis. A small amount of methemoglobin is present in the blood normally, but injury or toxic agents convert a larger proportion of hemoglobin into methemoglobin, which does not function reversibly as an oxygen carrier. Methemoglobinemia may be due to a defect in the enzyme NADH methemoglobin reductase (an autosomal recessive trait) or to an abnormality in hemoglobin M (an autosomal dominant trait). (Dorland, 27th ed)	3.6	3	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	3.45	8	0
Gastroenteritis INFLAMMATION of any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. Causes of gastroenteritis are many including genetic, infection, HYPERSENSITIVITY, drug effects, and CANCER.	5.69	4	1
T-Cell Lymphoma [description not available]	2.06	1	0
Lymphoma, T-Cell A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes.	2.06	1	0
Angiospasm, Intracranial [description not available]	2.98	1	0
Vasospasm, Intracranial Constriction of arteries in the SKULL due to sudden, sharp, and often persistent smooth muscle contraction in blood vessels. Intracranial vasospasm results in reduced vessel lumen caliber, restricted blood flow to the brain, and BRAIN ISCHEMIA that may lead to hypoxic-ischemic brain injury (HYPOXIA-ISCHEMIA, BRAIN).	2.98	1	0
Choline Deficiency A condition produced by a deficiency of CHOLINE in animals. Choline is known as a lipotropic agent because it has been shown to promote the transport of excess fat from the liver under certain conditions in laboratory animals. Combined deficiency of choline (included in the B vitamin complex) and all other methyl group donors causes liver cirrhosis in some animals. Unlike compounds normally considered as vitamins, choline does not serve as a cofactor in enzymatic reactions. (From Saunders Dictionary & Encyclopedia of Laboratory Medicine and Technology, 1984)	2.06	1	0
Deficiency, Folic Acid [description not available]	2.06	1	0
Folic Acid Deficiency A nutritional condition produced by a deficiency of FOLIC ACID in the diet. Many plant and animal tissues contain folic acid, abundant in green leafy vegetables, yeast, liver, and mushrooms but destroyed by long-term cooking. Alcohol interferes with its intermediate metabolism and absorption. Folic acid deficiency may develop in long-term anticonvulsant therapy or with use of oral contraceptives. This deficiency causes anemia, macrocytic anemia, and megaloblastic anemia. It is indistinguishable from vitamin B 12 deficiency in peripheral blood and bone marrow findings, but the neurologic lesions seen in B 12 deficiency do not occur. (Merck Manual, 16th ed)	2.06	1	0
Fungal Diseases [description not available]	3.38	2	0
Mycoses Diseases caused by FUNGI.	3.38	2	0
Cadaver A dead body, usually a human body.	8.82	11	0
Infections, Mycobacterium [description not available]	2.07	1	0
Mycobacterium Infections Infections with bacteria of the genus MYCOBACTERIUM.	2.07	1	0
Colonic Diseases Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE).	3.59	3	0
Carcinoma, Anaplastic [description not available]	5.36	13	1
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	10.36	13	1
Allergic Contact Dermatitis [description not available]	7.97	4	0
Dermatitis, Occupational A recurrent contact dermatitis caused by substances found in the work place.	4.45	5	1
Hand Dermatosis [description not available]	2.42	2	0
Hand Dermatoses Skin diseases involving the HANDS.	2.42	2	0
Dermatitis, Allergic Contact A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.	2.97	4	0
Coarctation of Aorta [description not available]	2.01	1	0
Aortic Coarctation A birth defect characterized by the narrowing of the AORTA that can be of varying degree and at any point from the transverse arch to the iliac bifurcation. Aortic coarctation causes arterial HYPERTENSION before the point of narrowing and arterial HYPOTENSION beyond the narrowed portion.	2.01	1	0
Dental Plaque A film that attaches to teeth, often causing DENTAL CARIES and GINGIVITIS. It is composed of MUCINS, secreted from salivary glands, and microorganisms.	7.68	3	0
Bends [description not available]	8.07	5	0
Carbon Tetrachloride Poisoning Poisoning that results from ingestion, injection, inhalation, or skin absorption of CARBON TETRACHLORIDE.	4.24	7	0
Bertielliasis [description not available]	2.33	2	0
Halitosis An offensive, foul breath odor resulting from a variety of causes such as poor oral hygiene, dental or oral infections, or the ingestion of certain foods.	5.18	4	1
Female Genital Diseases [description not available]	4.64	2	1
Genital Diseases, Female Pathological processes involving the female reproductive tract (GENITALIA, FEMALE).	4.64	2	1
Gastroduodenal Ulcer [description not available]	2.64	3	0
Peptic Ulcer Ulcer that occurs in the regions of the GASTROINTESTINAL TRACT which come into contact with GASTRIC JUICE containing PEPSIN and GASTRIC ACID. It occurs when there are defects in the MUCOSA barrier. The common forms of peptic ulcers are associated with HELICOBACTER PYLORI and the consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	2.64	3	0
Dermatitis, Eczematous [description not available]	1.93	1	0
Dermatitis Seborrheica [description not available]	1.93	1	0
Dermatitis Any inflammation of the skin.	1.93	1	0
Eczema A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed).	1.93	1	0
Dermatitis, Seborrheic A chronic inflammatory disease of the skin with unknown etiology. It is characterized by moderate ERYTHEMA, dry, moist, or greasy (SEBACEOUS GLAND) scaling and yellow crusted patches on various areas, especially the scalp, that exfoliate as dandruff. Seborrheic dermatitis is common in children and adolescents with HIV INFECTIONS.	1.93	1	0
Cough A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs.	1.93	1	0
Dermatophytoses [description not available]	2.63	3	0
Tinea Fungal infection of keratinized tissues such as hair, skin and nails. The main causative fungi include MICROSPORUM; TRICHOPHYTON; and EPIDERMOPHYTON.	2.63	3	0
External Ear Inflammation [description not available]	1.93	1	0
Otitis Externa Inflammation of the OUTER EAR including the external EAR CANAL, cartilages of the auricle (EAR CARTILAGE), and the TYMPANIC MEMBRANE.	1.93	1	0
Polyarthritis [description not available]	3.04	5	0
Adhesive Capsulitis [description not available]	2.85	4	0
Idiopathic Inflammatory Myopathies [description not available]	2.85	4	0
Arthritis Acute or chronic inflammation of JOINTS.	3.04	5	0
Bursitis Inflammation or irritation of a SYNOVIAL BURSA, the fibrous sac that acts as a cushion between moving structures of bones, muscles, tendons or skin.	2.85	4	0
Myositis Inflammation of a muscle or muscle tissue.	2.85	4	0
Postthrombotic Syndrome A condition caused by one or more episodes of DEEP VEIN THROMBOSIS, usually the blood clots are lodged in the legs. Clinical features include EDEMA; PAIN; aching; heaviness; and MUSCLE CRAMP in the leg. When severe leg swelling leads to skin breakdown, it is called venous STASIS ULCER.	1.93	1	0
Abscess, Amebic [description not available]	1.93	1	0
Amebiasis, Intestinal [description not available]	1.93	1	0
Amebiasis Infection with any of various amebae. It is an asymptomatic carrier state in most individuals, but diseases ranging from chronic, mild diarrhea to fulminant dysentery may occur.	1.93	1	0
Vaccinia The cutaneous and occasional systemic reactions associated with vaccination using smallpox (variola) vaccine.	1.93	1	0
Arthritis, Degenerative [description not available]	7.38	12	4
Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.	7.38	12	4
Aortic Stenosis [description not available]	2.38	2	0
Aortic Valve Stenosis A pathological constriction that can occur above (supravalvular stenosis), below (subvalvular stenosis), or at the AORTIC VALVE. It is characterized by restricted outflow from the LEFT VENTRICLE into the AORTA.	2.38	2	0
Carcinoma, Epidermoid [description not available]	6.09	11	1
Cancer of Stomach [description not available]	6.47	12	4
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	6.09	11	1
Stomach Neoplasms Tumors or cancer of the STOMACH.	6.47	12	4
Blood Pressure, Low [description not available]	2.63	3	0
Circulatory Collapse [description not available]	2.34	2	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	2.63	3	0
Shock A pathological condition manifested by failure to perfuse or oxygenate vital organs.	2.34	2	0
Neuromuscular Blockade The intentional interruption of transmission at the NEUROMUSCULAR JUNCTION by external agents, usually neuromuscular blocking agents. It is distinguished from NERVE BLOCK in which nerve conduction (NEURAL CONDUCTION) is interrupted rather than neuromuscular transmission. Neuromuscular blockade is commonly used to produce MUSCLE RELAXATION as an adjunct to anesthesia during surgery and other medical procedures. It is also often used as an experimental manipulation in basic research. It is not strictly speaking anesthesia but is grouped here with anesthetic techniques. The failure of neuromuscular transmission as a result of pathological processes is not included here.	1.93	1	0
Muscle Pain [description not available]	1.93	1	0
Myalgia Painful sensation in the muscles.	1.93	1	0
Organophosphorus Poisoning [description not available]	2.34	2	0
Organophosphate Poisoning Poisoning due to exposure to ORGANOPHOSPHORUS COMPOUNDS, such as ORGANOPHOSPHATES; ORGANOTHIOPHOSPHATES; and ORGANOTHIOPHOSPHONATES.	2.34	2	0
Adverse Drug Event [description not available]	4.94	6	0
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	4.94	6	0
Adrenal Gland Hypofunction [description not available]	1.93	1	0
Adrenal Insufficiency Conditions in which the production of adrenal CORTICOSTEROIDS falls below the requirement of the body. Adrenal insufficiency can be caused by defects in the ADRENAL GLANDS, the PITUITARY GLAND, or the HYPOTHALAMUS.	1.93	1	0
Dysentery Acute inflammation of the intestine associated with infectious DIARRHEA of various etiologies, generally acquired by eating contaminated food containing TOXINS, BIOLOGICAL derived from BACTERIA or other microorganisms. Dysentery is characterized initially by watery FECES then by bloody mucoid stools. It is often associated with ABDOMINAL PAIN; FEVER; and DEHYDRATION.	6.94	1	0
Dysentery, Shiga bacillus [description not available]	1.94	1	0
Dysentery, Bacillary DYSENTERY caused by gram-negative rod-shaped enteric bacteria (ENTEROBACTERIACEAE), most often by the genus SHIGELLA. Shigella dysentery, Shigellosis, is classified into subgroups according to syndrome severity and the infectious species. Group A: SHIGELLA DYSENTERIAE (severest); Group B: SHIGELLA FLEXNERI; Group C: SHIGELLA BOYDII; and Group D: SHIGELLA SONNEI (mildest).	1.94	1	0
HbS Disease [description not available]	2.65	3	0
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	3.11	5	0
Anemia, Sickle Cell A disease characterized by chronic hemolytic anemia, episodic painful crises, and pathologic involvement of many organs. It is the clinical expression of homozygosity for hemoglobin S.	2.65	3	0
Infant, Newborn, Diseases Diseases of newborn infants present at birth (congenital) or developing within the first month of birth. It does not include hereditary diseases not manifesting at birth or within the first 30 days of life nor does it include inborn errors of metabolism. Both HEREDITARY DISEASES and METABOLISM, INBORN ERRORS are available as general concepts.	2.35	2	0
Chromosomal Breakage [description not available]	1.94	1	0
Germinoblastoma [description not available]	3.48	8	0
Diffuse Mixed Small and Large Cell Lymphoma [description not available]	1.94	1	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	8.48	8	0
Lymphoma, Non-Hodgkin Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.	1.94	1	0
Nephritis Inflammation of any part of the KIDNEY.	1.94	1	0
Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age.	4.02	3	1
Anochlesia [description not available]	1.94	1	0
Hypothermia, Accidental [description not available]	9.33	8	6
Hypothermia Lower than normal body temperature, especially in warm-blooded animals.	9.33	8	6
Aura [description not available]	2.93	4	0
Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)	2.93	4	0
Polycystic Ovarian Syndrome [description not available]	1.94	1	0
Polycystic Ovary Syndrome A complex disorder characterized by infertility, HIRSUTISM; OBESITY; and various menstrual disturbances such as OLIGOMENORRHEA; AMENORRHEA; ANOVULATION. Polycystic ovary syndrome is usually associated with bilateral enlarged ovaries studded with atretic follicles, not with cysts. The term, polycystic ovary, is misleading.	1.94	1	0
Hepatitis INFLAMMATION of the LIVER.	2.87	4	0
Diathesis [description not available]	4.49	5	0
Gas Poisoning Poisoning that results from exposure to gases such as CARBON MONOXIDE; NOBLE GASES; OXYGEN; or NATURAL GAS.	3.04	5	0
Argentaffinoma [description not available]	2.37	2	0
Cancer of Gallbladder [description not available]	2.47	2	0
Carcinoid Tumor A usually small, slow-growing neoplasm composed of islands of rounded, oxyphilic, or spindle-shaped cells of medium size, with moderately small vesicular nuclei, and covered by intact mucosa with a yellow cut surface. The tumor can occur anywhere in the gastrointestinal tract (and in the lungs and other sites); approximately 90% arise in the appendix. It is now established that these tumors are of neuroendocrine origin and derive from a primitive stem cell. (From Stedman, 25th ed & Holland et al., Cancer Medicine, 3d ed, p1182)	2.37	2	0
Gallbladder Neoplasms Tumors or cancer of the gallbladder.	2.47	2	0
Abdominal Cramps [description not available]	2.01	1	0
Infections, Staphylococcal [description not available]	3.87	11	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	3.87	11	0
Infant Malnutrition Malnutrition, occurring in infants ages 1 month to 24 months, which is due to insufficient intake of food, dietary nutrients, or a pathophysiologic condition which prevents the absorption and utilization of food. Growth and development are markedly affected.	1.92	1	0
Acute Promyelocytic Leukemia [description not available]	2.02	1	0
Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.	2.02	1	0
Infections, Trichomonas [description not available]	1.92	1	0
Trichomonas Infections Infections in birds and mammals produced by various species of Trichomonas.	1.92	1	0
Depression, Endogenous [description not available]	1.92	1	0
Apnea A transient absence of spontaneous respiration.	3.72	2	1
Depressive Disorder An affective disorder manifested by either a dysphoric mood or loss of interest or pleasure in usual activities. The mood disturbance is prominent and relatively persistent.	1.92	1	0
Neuralgia, Sciatic [description not available]	1.92	1	0
Sciatica A condition characterized by pain radiating from the back into the buttock and posterior/lateral aspects of the leg. Sciatica may be a manifestation of SCIATIC NEUROPATHY; RADICULOPATHY (involving the SPINAL NERVE ROOTS; L4, L5, S1, or S2, often associated with INTERVERTEBRAL DISK DISPLACEMENT); or lesions of the CAUDA EQUINA.	6.92	1	0
Gastric Diseases [description not available]	3.6	3	0
Dissociation [description not available]	2.48	2	0
HIV Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2.	2.77	3	0
Cytomegalovirus A genus of the family HERPESVIRIDAE, subfamily BETAHERPESVIRINAE, infecting the salivary glands, liver, spleen, lungs, eyes, and other organs, in which they produce characteristically enlarged cells with intranuclear inclusions. Infection with Cytomegalovirus is also seen as an opportunistic infection in AIDS.	2.73	3	0
Esophagitis, Reflux [description not available]	4.81	2	1
Esophagitis, Peptic INFLAMMATION of the ESOPHAGUS that is caused by the reflux of GASTRIC JUICE with contents of the STOMACH and DUODENUM.	4.81	2	1
Auricular Fibrillation [description not available]	2.03	1	0
Atrial Fibrillation Abnormal cardiac rhythm that is characterized by rapid, uncoordinated firing of electrical impulses in the upper chambers of the heart (HEART ATRIA). In such case, blood cannot be effectively pumped into the lower chambers of the heart (HEART VENTRICLES). It is caused by abnormal impulse generation.	2.03	1	0
Campylobacter Infection [description not available]	7.85	5	4
Zoonoses Diseases of non-human animals that may be transmitted to HUMANS or may be transmitted from humans to non-human animals.	2.03	1	0
Salmonella Infections, Animal Infections in animals with bacteria of the genus SALMONELLA.	2.38	2	0
Inhalation Injury, Smoke [description not available]	2.03	1	0
Burns, Inhalation Burns of the respiratory tract caused by heat or inhaled chemicals.	2.03	1	0
Cerebellar Diseases Diseases that affect the structure or function of the cerebellum. Cardinal manifestations of cerebellar dysfunction include dysmetria, GAIT ATAXIA, and MUSCLE HYPOTONIA.	2.04	1	0
Convulsions, Grand Mal [description not available]	2.44	2	0
Absence Status [description not available]	2.04	1	0
Epilepsy, Tonic-Clonic A generalized seizure disorder characterized by recurrent major motor seizures. The initial brief tonic phase is marked by trunk flexion followed by diffuse extension of the trunk and extremities. The clonic phase features rhythmic flexor contractions of the trunk and limbs, pupillary dilation, elevations of blood pressure and pulse, urinary incontinence, and tongue biting. This is followed by a profound state of depressed consciousness (post-ictal state) which gradually improves over minutes to hours. The disorder may be cryptogenic, familial, or symptomatic (caused by an identified disease process). (From Adams et al., Principles of Neurology, 6th ed, p329)	2.44	2	0
Status Epilepticus A prolonged seizure or seizures repeated frequently enough to prevent recovery between episodes occurring over a period of 20-30 minutes. The most common subtype is generalized tonic-clonic status epilepticus, a potentially fatal condition associated with neuronal injury and respiratory and metabolic dysfunction. Nonconvulsive forms include petit mal status and complex partial status, which may manifest as behavioral disturbances. Simple partial status epilepticus consists of persistent motor, sensory, or autonomic seizures that do not impair cognition (see also EPILEPSIA PARTIALIS CONTINUA). Subclinical status epilepticus generally refers to seizures occurring in an unresponsive or comatose individual in the absence of overt signs of seizure activity. (From N Engl J Med 1998 Apr 2;338(14):970-6; Neurologia 1997 Dec;12 Suppl 6:25-30)	2.04	1	0
Diabetic Angiopathies VASCULAR DISEASES that are associated with DIABETES MELLITUS.	2.52	2	0
Carcinoma 256, Walker A transplantable carcinoma of the rat that originally appeared spontaneously in the mammary gland of a pregnant albino rat, and which now resembles a carcinoma in young transplants and a sarcoma in older transplants. (Stedman, 25th ed)	1.94	1	0
Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES.	4.06	3	0
Adenovirus Infections [description not available]	1.96	1	0
Adenoviridae Infections Virus diseases caused by the ADENOVIRIDAE.	1.96	1	0
Aortic Diseases Pathological processes involving any part of the AORTA.	2.4	2	0
Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.	1.96	1	0
Experimental Radiation Injuries [description not available]	1.96	1	0
Colonic Polyps Discrete tissue masses that protrude into the lumen of the COLON. These POLYPS are connected to the wall of the colon either by a stalk, pedunculus, or by a broad base.	3.8	4	0
Eczema, Atopic [description not available]	1.95	1	0
Dermatitis, Atopic A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema.	1.95	1	0
Gallstone Disease [description not available]	1.96	1	0
Cholelithiasis Presence or formation of GALLSTONES in the BILIARY TRACT, usually in the gallbladder (CHOLECYSTOLITHIASIS) or the common bile duct (CHOLEDOCHOLITHIASIS).	1.96	1	0
Atherosclerotic Parkinsonism [description not available]	2.36	2	0
Parkinson Disease, Secondary Conditions which feature clinical manifestations resembling primary Parkinson disease that are caused by a known or suspected condition. Examples include parkinsonism caused by vascular injury, drugs, trauma, toxin exposure, neoplasms, infections and degenerative or hereditary conditions. Clinical features may include bradykinesia, rigidity, parkinsonian gait, and masked facies. In general, tremor is less prominent in secondary parkinsonism than in the primary form. (From Joynt, Clinical Neurology, 1998, Ch38, pp39-42)	2.36	2	0
Cancer of Rectum [description not available]	8.3	11	4
Rectal Neoplasms Tumors or cancer of the RECTUM.	8.3	11	4
Esophageal Reflux [description not available]	1.96	1	0
Gastroesophageal Reflux Retrograde flow of gastric juice (GASTRIC ACID) and/or duodenal contents (BILE ACIDS; PANCREATIC JUICE) into the distal ESOPHAGUS, commonly due to incompetence of the LOWER ESOPHAGEAL SPHINCTER.	1.96	1	0
Icterus [description not available]	1.96	1	0
Jaundice A clinical manifestation of HYPERBILIRUBINEMIA, characterized by the yellowish staining of the SKIN; MUCOUS MEMBRANE; and SCLERA. Clinical jaundice usually is a sign of LIVER dysfunction.	1.96	1	0
Arsenic Encephalopathy [description not available]	1.96	1	0
Amino Acid Metabolism Disorders, Inborn [description not available]	2.86	4	0
Pneumatosis Cystoides Intestinalis A condition characterized by the presence of multiple gas-filled cysts in the intestinal wall, the submucosa and/or subserosa of the INTESTINE. The majority of the cysts are found in the JEJUNUM and the ILEUM.	3.82	4	0
Pyloric Stenosis Narrowing of the pyloric canal with varied etiology. A common form is due to muscle hypertrophy (PYLORIC STENOSIS, HYPERTROPHIC) seen in infants.	1.98	1	0
Adhesions, Tissue [description not available]	3.3	6	0
Aneuploid [description not available]	7.71	3	0
Actinic Reticuloid Syndrome [description not available]	2.36	2	0
Acute Brain Injuries [description not available]	2.95	4	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	2.95	4	0
Crush Syndrome Severe systemic manifestation of trauma and ischemia involving soft tissues, principally skeletal muscle, due to prolonged severe crushing. It leads to increased permeability of the cell membrane and to the release of potassium, enzymes, and myoglobin from within cells. Ischemic renal dysfunction secondary to hypotension and diminished renal perfusion results in acute tubular necrosis and uremia.	1.99	1	0
Rhabdomyolysis Necrosis or disintegration of skeletal muscle often followed by myoglobinuria.	6.99	1	0
Colonic Diseases, Functional Chronic or recurrent colonic disorders without an identifiable structural or biochemical explanation. The widely recognized IRRITABLE BOWEL SYNDROME falls into this category.	7.42	4	4
Lipodystrophy A collection of heterogenous conditions resulting from defective LIPID METABOLISM and characterized by ADIPOSE TISSUE atrophy. Often there is redistribution of body fat resulting in peripheral fat wasting and central adiposity. They include generalized, localized, congenital, and acquired lipodystrophy.	2	1	0
Anesthesia Related Hyperthermia [description not available]	2	1	0
Abdomen, Acute A clinical syndrome with acute abdominal pain that is severe, localized, and rapid in onset. Acute abdomen may be caused by a variety of disorders, injuries, or diseases.	2.37	2	0
Equine Diseases [description not available]	2.88	4	0
Autoimmune Demyelinating Disease, Peripheral [description not available]	2	1	0
Benign Meningeal Neoplasms [description not available]	2	1	0
Angioblastic Meningioma [description not available]	2	1	0
Meningeal Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the meningeal coverings of the brain and spinal cord.	2	1	0
Meningioma A relatively common neoplasm of the CENTRAL NERVOUS SYSTEM that arises from arachnoidal cells. The majority are well differentiated vascular tumors which grow slowly and have a low potential to be invasive, although malignant subtypes occur. Meningiomas have a predilection to arise from the parasagittal region, cerebral convexity, sphenoidal ridge, olfactory groove, and SPINAL CANAL. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2056-7)	2	1	0
Acute Necrotizing Pancreatitis [description not available]	2	1	0
Peripheral Nerve Diseases [description not available]	2.37	2	0
Peripheral Nervous System Diseases Diseases of the peripheral nerves external to the brain and spinal cord, which includes diseases of the nerve roots, ganglia, plexi, autonomic nerves, sensory nerves, and motor nerves.	2.37	2	0
Mushroom Poisoning Poisoning from ingestion of mushrooms, primarily from, but not restricted to, toxic varieties.	2.64	3	0
Consciousness, Loss of [description not available]	1.95	1	0
Poisoning, Fluoride [description not available]	1.95	1	0
Fluoride Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of FLUORIDE compounds.	1.95	1	0
Contact Dermatitis [description not available]	4.44	5	1
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	4.44	5	1
Nerve Degeneration Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways.	2.69	3	0
Parasite Infections [description not available]	1.95	1	0
Psychoses [description not available]	1.95	1	0
Psychotic Disorders Disorders in which there is a loss of ego boundaries or a gross impairment in reality testing with delusions or prominent hallucinations. (From DSM-IV, 1994)	1.95	1	0
Hyperidrosis [description not available]	1.95	1	0
Hyperhidrosis Excessive sweating. In the localized type, the most frequent sites are the palms, soles, axillae, inguinal folds, and the perineal area. Its chief cause is thought to be emotional. Generalized hyperhidrosis may be induced by a hot, humid environment, by fever, or by vigorous exercise.	1.95	1	0
Arrhythmia [description not available]	3.37	7	0
Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction.	3.37	7	0
Choroid Neoplasms Tumors of the choroid; most common intraocular tumors are malignant melanomas of the choroid. These usually occur after puberty and increase in incidence with advancing age. Most malignant melanomas of the uveal tract develop from benign melanomas (nevi).	1.95	1	0
Aerophagy Spasmodic swallowing of air.	2.35	2	0
Oliguria Decreased URINE output that is below the normal range. Oliguria can be defined as urine output of less than or equal to 0.5 or 1 ml/kg/hr depending on the age.	1.95	1	0
Cardiac Arrest, Sudden [description not available]	1.98	1	0
Death, Sudden, Cardiac Unexpected rapid natural death due to cardiovascular collapse within one hour of initial symptoms. It is usually caused by the worsening of existing heart diseases. The sudden onset of symptoms, such as CHEST PAIN and CARDIAC ARRHYTHMIAS, particularly VENTRICULAR TACHYCARDIA, can lead to the loss of consciousness and cardiac arrest followed by biological death. (from Braunwald's Heart Disease: A Textbook of Cardiovascular Medicine, 7th ed., 2005)	1.98	1	0
Allergy, Drug [description not available]	4.59	3	2
Drug Hypersensitivity Immunologically mediated adverse reactions to medicinal substances used legally or illegally.	4.59	3	2
Duodenal Diseases Pathological conditions in the DUODENUM region of the small intestine (INTESTINE, SMALL).	1.97	1	0
Nutritional Disorders [description not available]	3.77	2	1
Nutrition Disorders Disorders caused by nutritional imbalance, either overnutrition or undernutrition.	3.77	2	1
Intestinal Polyps Discrete abnormal tissue masses that protrude into the lumen of the INTESTINE. A polyp is attached to the intestinal wall either by a stalk, pedunculus, or by a broad base.	4.04	3	1
Altered Level of Consciousness [description not available]	1.97	1	0
Heart Valve Diseases Pathological conditions involving any of the various HEART VALVES and the associated structures (PAPILLARY MUSCLES and CHORDAE TENDINEAE).	1.97	1	0
Digestive System Disorders [description not available]	2.88	1	0
Digestive System Diseases Diseases in any part of the GASTROINTESTINAL TRACT or the accessory organs (LIVER; BILIARY TRACT; PANCREAS).	2.88	1	0
Rupture Forcible or traumatic tear or break of an organ or other soft part of the body.	6.14	12	1
Abdominal Injuries General or unspecified injuries involving organs in the abdominal cavity.	3.78	2	1
Cancer of the Urinary Tract [description not available]	3.78	2	1
Adenoma, Basal Cell [description not available]	3.1	5	0
Cancer of Sigmoid [description not available]	1.96	1	0
Adenoma A benign epithelial tumor with a glandular organization.	3.1	5	0
Ataxia Impairment of the ability to perform smoothly coordinated voluntary movements. This condition may affect the limbs, trunk, eyes, pharynx, larynx, and other structures. Ataxia may result from impaired sensory or motor function. Sensory ataxia may result from posterior column injury or PERIPHERAL NERVE DISEASES. Motor ataxia may be associated with CEREBELLAR DISEASES; CEREBRAL CORTEX diseases; THALAMIC DISEASES; BASAL GANGLIA DISEASES; injury to the RED NUCLEUS; and other conditions.	1.94	1	0
Nervous System Disorders [description not available]	2.35	2	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	2.35	2	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	3.71	10	0
Adenoma, Prostatic [description not available]	2.71	3	0
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	2.71	3	0
Abdominal Cryptorchidism [description not available]	1.95	1	0
Genetic Diseases [description not available]	3.3	2	0
47,XX,+21 [description not available]	1.94	1	0
Glycogenosis [description not available]	1.94	1	0
Inborn Errors of Metabolism [description not available]	2.64	3	0
Chromosomal Triplication [description not available]	2.35	2	0
Down Syndrome A chromosome disorder associated either with an extra chromosome 21 or an effective trisomy for chromosome 21. Clinical manifestations include hypotonia, short stature, brachycephaly, upslanting palpebral fissures, epicanthus, Brushfield spots on the iris, protruding tongue, small ears, short, broad hands, fifth finger clinodactyly, Simian crease, and moderate to severe INTELLECTUAL DISABILITY. Cardiac and gastrointestinal malformations, a marked increase in the incidence of LEUKEMIA, and the early onset of ALZHEIMER DISEASE are also associated with this condition. Pathologic features include the development of NEUROFIBRILLARY TANGLES in neurons and the deposition of AMYLOID BETA-PROTEIN, similar to the pathology of ALZHEIMER DISEASE. (Menkes, Textbook of Child Neurology, 5th ed, p213)	1.94	1	0
Glycogen Storage Disease A group of inherited metabolic disorders involving the enzymes responsible for the synthesis and degradation of glycogen. In some patients, prominent liver involvement is presented. In others, more generalized storage of glycogen occurs, sometimes with prominent cardiac involvement.	1.94	1	0
Metabolism, Inborn Errors Errors in metabolic processes resulting from inborn genetic mutations that are inherited or acquired in utero.	2.64	3	0
Genetic Diseases, Inborn Diseases that are caused by genetic mutations present during embryo or fetal development, although they may be observed later in life. The mutations may be inherited from a parent's genome or they may be acquired in utero.	3.3	2	0
Nasal Bleeding [description not available]	1.95	1	0
Cold Fingers, Hereditary [description not available]	1.95	1	0
Epistaxis Bleeding from the nose.	1.95	1	0
Raynaud Disease An idiopathic vascular disorder characterized by bilateral Raynaud phenomenon, the abrupt onset of digital paleness or CYANOSIS in response to cold exposure or stress.	1.95	1	0
Leukemia L 1210 [description not available]	2.35	2	0
Experimental Leukemia [description not available]	2.35	2	0
Leukemia, Lymphocytic [description not available]	1.95	1	0
Leukemia, Lymphoid Leukemia associated with HYPERPLASIA of the lymphoid tissues and increased numbers of circulating malignant LYMPHOCYTES and lymphoblasts.	1.95	1	0
Condition, Preneoplastic [description not available]	1.95	1	0
Precancerous Conditions Pathological conditions that tend eventually to become malignant.	1.95	1	0
Cancer of Larynx [description not available]	1.94	1	0
Laryngeal Neoplasms Cancers or tumors of the LARYNX or any of its parts: the GLOTTIS; EPIGLOTTIS; LARYNGEAL CARTILAGES; LARYNGEAL MUSCLES; and VOCAL CORDS.	1.94	1	0
Dermatomycoses Superficial infections of the skin or its appendages by any of various fungi.	3.33	1	1
Itching [description not available]	3.33	1	1
Nail Fungus [description not available]	3.33	1	1
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	3.33	1	1
Onychomycosis A fungal infection of the nail, usually caused by DERMATOPHYTES; YEASTS; or nondermatophyte MOLDS.	3.33	1	1
Food Poisoning [description not available]	4.53	5	0
Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.	1.95	1	0
Ureteral Obstruction Blockage in any part of the URETER causing obstruction of urine flow from the kidney to the URINARY BLADDER. The obstruction may be congenital, acquired, unilateral, bilateral, complete, partial, acute, or chronic. Depending on the degree and duration of the obstruction, clinical features vary greatly such as HYDRONEPHROSIS and obstructive nephropathy.	1.95	1	0
Anterior Urethral Stricture [description not available]	1.95	1	0
Urethral Stricture Narrowing of any part of the URETHRA. It is characterized by decreased urinary stream and often other obstructive voiding symptoms.	1.95	1	0
Neoplasms, Nerve Tissue Neoplasms composed of nerve tissue. This concept does not refer to neoplasms located in the nervous system or its component nerves.	1.94	1	0
MS (Multiple Sclerosis) [description not available]	7.19	4	2
Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903)	7.19	4	2
Abnormalities, Autosome [description not available]	5.89	23	0
Anaplastic Oligodendroglioma [description not available]	2.37	2	0
Peripheral Nerve Neoplasms [description not available]	1.94	1	0
Oligodendroglioma A relatively slow-growing glioma that is derived from oligodendrocytes and tends to occur in the cerebral hemispheres, thalamus, or lateral ventricle. They may present at any age, but are most frequent in the third to fifth decades, with an earlier incidence peak in the first decade. Histologically, these tumors are encapsulated, relatively avascular, and tend to form cysts and microcalcifications. Neoplastic cells tend to have small round nuclei surrounded by unstained nuclei. The tumors may vary from well-differentiated to highly anaplastic forms. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2052; Adams et al., Principles of Neurology, 6th ed, p655)	2.37	2	0
Peripheral Nervous System Neoplasms Neoplasms which arise from peripheral nerve tissue. This includes NEUROFIBROMAS; SCHWANNOMAS; GRANULAR CELL TUMORS; and malignant peripheral NERVE SHEATH NEOPLASMS. (From DeVita Jr et al., Cancer: Principles and Practice of Oncology, 5th ed, pp1750-1)	1.94	1	0
Reticulum Cell-Like Sarcoma, Yoshida [description not available]	2.35	2	0
Hyperlipemia [description not available]	2.39	2	0
Hyperlipidemias Conditions with excess LIPIDS in the blood.	2.39	2	0
Bagassosis A diffuse parenchymal lung disease caused by inhaled dust from processing SUGARCANE (bagasse), usually in the manufacturing of wallboard.	1.95	1	0
Pneumoconiosis A diffuse parenchymal lung disease caused by inhalation of dust and by tissue reaction to their presence. These inorganic, organic, particulate, or vaporized matters usually are inhaled by workers in their occupational environment, leading to the various forms (ASBESTOSIS; BYSSINOSIS; and others). Similar air pollution can also have deleterious effects on the general population.	1.95	1	0
Carcinoma, Bronchial [description not available]	3.3	2	0
Granuloma, Hodgkin [description not available]	1.95	1	0
Cancer of Mediastinum [description not available]	2.35	2	0
Sarcoma, Epithelioid [description not available]	2.9	4	0
EHS Tumor [description not available]	1.95	1	0
Osteogenic Sarcoma [description not available]	5.76	7	1
Carcinoma, Bronchogenic Malignant neoplasm arising from the epithelium of the BRONCHI. It represents a large group of epithelial lung malignancies which can be divided into two clinical groups: SMALL CELL LUNG CANCER and NON-SMALL-CELL LUNG CARCINOMA.	3.3	2	0
Hodgkin Disease A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.	1.95	1	0
Mediastinal Neoplasms Tumors or cancer of the MEDIASTINUM.	2.35	2	0
Sarcoma A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.	2.9	4	0
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	5.76	7	1
Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed)	1.95	1	0
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	3.77	2	1
Emesis [description not available]	2.35	2	0
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	2.35	2	0
Curling Ulcer Acute stress DUODENAL ULCER, usually observed in patients with extensive third-degree burns.	3.33	1	1
Gastric Ulcer [description not available]	3.33	1	1
Duodenal Ulcer A PEPTIC ULCER located in the DUODENUM.	3.33	1	1
Stomach Ulcer Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	3.33	1	1
Grippe [description not available]	4.33	4	1
Influenza, Human An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.	4.33	4	1
Candidiasis, Genital [description not available]	3.33	1	1
Pruritus Vulvae Intense itching of the external female genitals.	3.33	1	1
Trichomoniasis, Human [description not available]	3.33	1	1
Candidiasis, Vulvovaginal Infection of the VULVA and VAGINA with a fungus of the genus CANDIDA.	3.33	1	1
Trichomonas Vaginitis Inflammation of the vagina, marked by a purulent discharge. This disease is caused by the protozoan TRICHOMONAS VAGINALIS.	3.33	1	1
Frigidity [description not available]	3.33	1	1
Sexual Dysfunctions, Psychological Disturbances in sexual desire and the psychophysiologic changes that characterize the sexual response cycle and cause marked distress and interpersonal difficulty. (APA, DSM-IV, 1994)	3.33	1	1
Impotence [description not available]	3.78	2	1
Erectile Dysfunction The inability in the male to have a PENILE ERECTION due to psychological or organ dysfunction.	3.78	2	1
Candidiasis, Cutaneous Candidiasis of the skin manifested as eczema-like lesions of the interdigital spaces, perleche, or chronic paronychia. (Dorland, 27th ed)	1.94	1	0
Cataract, Membranous [description not available]	1.94	1	0
Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed)	1.94	1	0
Remission, Spontaneous A spontaneous diminution or abatement of a disease over time, without formal treatment.	2.35	2	0
Leukocytopenia [description not available]	4.97	3	1
Leukopenia A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).	4.97	3	1
Hypertension, Renal Persistent high BLOOD PRESSURE due to KIDNEY DISEASES, such as those involving the renal parenchyma, the renal vasculature, or tumors that secrete RENIN.	1.95	1	0
Hypergonadotropic Hypogonadism [description not available]	1.95	1	0
Hypogonadism Condition resulting from deficient gonadal functions, such as GAMETOGENESIS and the production of GONADAL STEROID HORMONES. It is characterized by delay in GROWTH, germ cell maturation, and development of secondary sex characteristics. Hypogonadism can be due to a deficiency of GONADOTROPINS (hypogonadotropic hypogonadism) or due to primary gonadal failure (hypergonadotropic hypogonadism).	1.95	1	0
Cancer of Duodenum [description not available]	1.95	1	0
Cancer of Intestines [description not available]	1.95	1	0
Intestinal Neoplasms Tumors or cancer of the INTESTINES.	1.95	1	0
Embryopathies [description not available]	1.95	1	0
Deficiency, Vitamin B 12 [description not available]	2.88	4	0
Vitamin B 12 Deficiency A nutritional condition produced by a deficiency of VITAMIN B 12 in the diet, characterized by megaloblastic anemia. Since vitamin B 12 is not present in plants, humans have obtained their supply from animal products, from multivitamin supplements in the form of pills, and as additives to food preparations. A wide variety of neuropsychiatric abnormalities is also seen in vitamin B 12 deficiency and appears to be due to an undefined defect involving myelin synthesis. (From Cecil Textbook of Medicine, 19th ed, p848)	2.88	4	0
Infantile Respiratory Distress Syndrome [description not available]	1.95	1	0
Respiratory Distress Syndrome, Newborn A condition of the newborn marked by DYSPNEA with CYANOSIS, heralded by such prodromal signs as dilatation of the alae nasi, expiratory grunt, and retraction of the suprasternal notch or costal margins, mostly frequently occurring in premature infants, children of diabetic mothers, and infants delivered by cesarean section, and sometimes with no apparent predisposing cause.	1.95	1	0
Fibromatosis [description not available]	1.95	1	0
Fibroid [description not available]	1.95	1	0
Fibroma A benign tumor of fibrous or fully developed connective tissue.	1.95	1	0
Fibrosarcoma A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed)	1.95	1	0
Hemangiopericytoma A tumor composed of spindle cells with a rich vascular network, which apparently arises from pericytes, cells of smooth muscle origin that lie around small vessels. Benign and malignant hemangiopericytomas exist, and the rarity of these lesions has led to considerable confusion in distinguishing between benign and malignant variants. (From Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1364)	2.4	2	0
Leiomyoma A benign tumor derived from smooth muscle tissue, also known as a fibroid tumor. They rarely occur outside of the UTERUS and the GASTROINTESTINAL TRACT but can occur in the SKIN and SUBCUTANEOUS TISSUE, probably arising from the smooth muscle of small blood vessels in these tissues.	1.95	1	0
Ventricular Fibrillation A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST.	7.63	3	0
Varicocele A condition characterized by the dilated tortuous veins of the SPERMATIC CORD with a marked left-sided predominance. Adverse effect on male fertility occurs when varicocele leads to an increased scrotal (and testicular) temperature and reduced testicular volume.	1.95	1	0
Starvation Lengthy and continuous deprivation of food. (Stedman, 25th ed)	1.95	1	0
Carcinoma, Papillary A malignant neoplasm characterized by the formation of numerous, irregular, finger-like projections of fibrous stroma that is covered with a surface layer of neoplastic epithelial cells. (Stedman, 25th ed)	2.7	3	0
Metaplasia A condition in which there is a change of one adult cell type to another similar adult cell type.	5.01	3	1
Tracheal Neoplasms New abnormal growth of tissue in the TRACHEA.	1.95	1	0
Aneurysm, Anterior Cerebral Artery [description not available]	1.95	1	0
Hemorrhage, Subarachnoid [description not available]	1.95	1	0
Intracranial Aneurysm Abnormal outpouching in the wall of intracranial blood vessels. Most common are the saccular (berry) aneurysms located at branch points in CIRCLE OF WILLIS at the base of the brain. Vessel rupture results in SUBARACHNOID HEMORRHAGE or INTRACRANIAL HEMORRHAGES. Giant aneurysms (	1.95	1	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	1.95	1	0
Ptosis, Eyelid [description not available]	1.95	1	0
Action Tremor [description not available]	1.95	1	0
Blepharoptosis Drooping of the upper lid due to deficient development or paralysis of the levator palpebrae muscle.	1.95	1	0
Tremor Cyclical movement of a body part that can represent either a physiologic process or a manifestation of disease. Intention or action tremor, a common manifestation of CEREBELLAR DISEASES, is aggravated by movement. In contrast, resting tremor is maximal when there is no attempt at voluntary movement, and occurs as a relatively frequent manifestation of PARKINSON DISEASE.	1.95	1	0
Addison's Anemia [description not available]	3.26	2	0
Delayed Postpartum Hemorrhage [description not available]	3.33	1	1
Complications, Labor [description not available]	3.73	2	1
Postpartum Hemorrhage Excess blood loss from uterine bleeding associated with OBSTETRIC LABOR or CHILDBIRTH. It is defined as blood loss greater than 500 ml or of the amount that adversely affects the maternal physiology, such as BLOOD PRESSURE and HEMATOCRIT. Postpartum hemorrhage is divided into two categories, immediate (within first 24 hours after birth) or delayed (after 24 hours postpartum).	3.33	1	1
Genito-urinary Cancer [description not available]	2.86	1	0
Urogenital Neoplasms Tumors or cancer of the UROGENITAL SYSTEM in either the male or the female.	2.86	1	0
Cramp [description not available]	3.33	1	1
Muscle Cramp A sustained and usually painful contraction of muscle fibers. This may occur as an isolated phenomenon or as a manifestation of an underlying disease process (e.g., UREMIA; HYPOTHYROIDISM; MOTOR NEURON DISEASE; etc.). (From Adams et al., Principles of Neurology, 6th ed, p1398)	3.33	1	1
Liver Steatosis [description not available]	2.86	1	0
Deficiency, Protein [description not available]	2.86	1	0
Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.	2.86	1	0
Poisoning, Mercury [description not available]	3.26	2	0
Mercury Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of MERCURY or MERCURY COMPOUNDS.	3.26	2	0
Eye Burns Injury to any part of the eye by extreme heat, chemical agents, or ultraviolet radiation.	1.94	1	0
Bacteriuria The presence of bacteria in the urine which is normally bacteria-free. These bacteria are from the URINARY TRACT and are not contaminants of the surrounding tissues. Bacteriuria can be symptomatic or asymptomatic. Significant bacteriuria is an indicator of urinary tract infection.	1.94	1	0
Poisoning, Lead [description not available]	1.94	1	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	1.94	1	0
Bradyarrhythmia [description not available]	2.38	2	0
Tachyarrhythmia [description not available]	2.35	2	0
Bradycardia Cardiac arrhythmias that are characterized by excessively slow HEART RATE, usually below 50 beats per minute in human adults. They can be classified broadly into SINOATRIAL NODE dysfunction and ATRIOVENTRICULAR BLOCK.	2.38	2	0
Tachycardia Abnormally rapid heartbeat, usually with a HEART RATE above 100 beats per minute for adults. Tachycardia accompanied by disturbance in the cardiac depolarization (cardiac arrhythmia) is called tachyarrhythmia.	2.35	2	0
Bronze Diabetes [description not available]	2.38	2	0
Erythrocytosis [description not available]	1.94	1	0
Hemochromatosis A disorder of iron metabolism characterized by a triad of HEMOSIDEROSIS; LIVER CIRRHOSIS; and DIABETES MELLITUS. It is caused by massive iron deposits in parenchymal cells that may develop after a prolonged increase of iron absorption. (Jablonski's Dictionary of Syndromes & Eponymic Diseases, 2d ed)	2.38	2	0
Cancer of Pituitary [description not available]	1.94	1	0
Abdominal Neoplasms New abnormal growth of tissue in the ABDOMEN.	2.69	3	0
Carcinoma, Transitional Cell A malignant neoplasm derived from TRANSITIONAL EPITHELIAL CELLS, occurring chiefly in the URINARY BLADDER; URETERS; or RENAL PELVIS.	4.31	4	1
Pituitary Neoplasms Neoplasms which arise from or metastasize to the PITUITARY GLAND. The majority of pituitary neoplasms are adenomas, which are divided into non-secreting and secreting forms. Hormone producing forms are further classified by the type of hormone they secrete. Pituitary adenomas may also be characterized by their staining properties (see ADENOMA, BASOPHIL; ADENOMA, ACIDOPHIL; and ADENOMA, CHROMOPHOBE). Pituitary tumors may compress adjacent structures, including the HYPOTHALAMUS, several CRANIAL NERVES, and the OPTIC CHIASM. Chiasmal compression may result in bitemporal HEMIANOPSIA.	1.94	1	0
Facial Dermatoses Skin diseases involving the FACE.	1.94	1	0
Appetite Disorders [description not available]	1.94	1	0
Feeding and Eating Disorders A group of disorders characterized by physiological and psychological disturbances in appetite or food intake.	1.94	1	0
Alcohol Abuse [description not available]	1.94	1	0
Angioneurotic Edema [description not available]	1.94	1	0
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	1.94	1	0
Angioedema Swelling involving the deep DERMIS, subcutaneous, or submucosal tissues, representing localized EDEMA. Angioedema often occurs in the face, lips, tongue, and larynx.	1.94	1	0
Glycosuria The appearance of an abnormally large amount of GLUCOSE in the urine, such as more than 500 mg/day in adults. It can be due to HYPERGLYCEMIA or genetic defects in renal reabsorption (RENAL GLYCOSURIA).	3.28	6	0
Leukocytosis A transient increase in the number of leukocytes in a body fluid.	1.94	1	0
Brain Vascular Disorders [description not available]	1.94	1	0
Cerebrovascular Disorders A spectrum of pathological conditions of impaired blood flow in the brain. They can involve vessels (ARTERIES or VEINS) in the CEREBRUM, the CEREBELLUM, and the BRAIN STEM. Major categories include INTRACRANIAL ARTERIOVENOUS MALFORMATIONS; BRAIN ISCHEMIA; CEREBRAL HEMORRHAGE; and others.	1.94	1	0
Papilloma, Squamous Cell [description not available]	1.94	1	0
Facial Neoplasms New abnormal growth of tissue in the FACE.	1.94	1	0
Papilloma A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed)	1.94	1	0
Bilharziasis [description not available]	1.94	1	0
Schistosomiasis Infection with flukes (trematodes) of the genus SCHISTOSOMA. Three species produce the most frequent clinical diseases: SCHISTOSOMA HAEMATOBIUM (endemic in Africa and the Middle East), SCHISTOSOMA MANSONI (in Egypt, northern and southern Africa, some West Indies islands, northern 2/3 of South America), and SCHISTOSOMA JAPONICUM (in Japan, China, the Philippines, Celebes, Thailand, Laos). S. mansoni is often seen in Puerto Ricans living in the United States.	1.94	1	0
Leukoma [description not available]	1.94	1	0
Corneal Opacity Disorder occurring in the central or peripheral area of the cornea. The usual degree of transparency becomes relatively opaque.	1.94	1	0
Anorectal Diseases [description not available]	1.94	1	0
Anus Diseases Diseases involving the ANUS.	1.94	1	0
Hemorrhoids Swollen veins in the lower part of the RECTUM or ANUS. Hemorrhoids can be inside the anus (internal), under the skin around the anus (external), or protruding from inside to outside of the anus. People with hemorrhoids may or may not exhibit symptoms which include bleeding, itching, and pain.	1.94	1	0
Rectal Diseases Pathological developments in the RECTUM region of the large intestine (INTESTINE, LARGE).	1.94	1	0
Acidosis, Respiratory Respiratory retention of carbon dioxide. It may be chronic or acute.	3.33	1	1
Aminoaciduria, Renal [description not available]	1.94	1	0
Anemia, Macrocytic Anemia characterized by larger than normal erythrocytes, increased mean corpuscular volume (MCV) and increased mean corpuscular hemoglobin (MCH).	1.94	1	0
Postgastrectomy Syndromes Sequelae of gastrectomy from the second week after operation on. Include recurrent or anastomotic ulcer, postprandial syndromes (DUMPING SYNDROME and late postprandial hypoglycemia), disordered bowel action, and nutritional deficiencies.	1.94	1	0
Experimental Mammary Neoplasms [description not available]	2.92	4	0
Decerebrate Posturing [description not available]	1.94	1	0
Bronchial Diseases Diseases involving the BRONCHI.	1.94	1	0
Airway Hyper-Responsiveness [description not available]	3.22	5	0
Bacterial Meningitides [description not available]	3.23	1	0
Meningitis, Bacterial Bacterial infections of the leptomeninges and subarachnoid space, frequently involving the cerebral cortex, cranial nerves, cerebral blood vessels, spinal cord, and nerve roots.	3.23	1	0
Peripheral Nerve Injury [description not available]	2.9	3	0
Peripheral Nerve Injuries Injuries to the PERIPHERAL NERVES.	2.9	3	0
Acute Myelogenous Leukemia [description not available]	2.59	2	0
Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.	2.59	2	0
Protein Aggregation, Pathological A biochemical phenomenon in which misfolded proteins aggregate either intra- or extracellularly. Triggered by factors such as MUTATION; POST-TRANSLATIONAL MODIFICATIONS, and environmental stress, it is generally associated with ALZHEIMER DISEASE; PARKINSON DISEASE; HUNTINGTON DISEASE; and TYPE 2 DIABETES MELLITUS.	3.09	4	0
Blue Tongue [description not available]	2.31	1	0
Infection, Wound [description not available]	4.2	6	0
Coagulation Disorders, Blood [description not available]	2.52	2	0
Blood Coagulation Disorders Hemorrhagic and thrombotic disorders that occur as a consequence of abnormalities in blood coagulation due to a variety of factors such as COAGULATION PROTEIN DISORDERS; BLOOD PLATELET DISORDERS; BLOOD PROTEIN DISORDERS or nutritional conditions.	2.52	2	0
Encephalitis, Viral Inflammation of brain parenchymal tissue as a result of viral infection. Encephalitis may occur as primary or secondary manifestation of TOGAVIRIDAE INFECTIONS; HERPESVIRIDAE INFECTIONS; ADENOVIRIDAE INFECTIONS; FLAVIVIRIDAE INFECTIONS; BUNYAVIRIDAE INFECTIONS; PICORNAVIRIDAE INFECTIONS; PARAMYXOVIRIDAE INFECTIONS; ORTHOMYXOVIRIDAE INFECTIONS; RETROVIRIDAE INFECTIONS; and ARENAVIRIDAE INFECTIONS.	2.31	1	0
Central Nervous System Viral Diseases Viral infections of the brain, spinal cord, meninges, or perimeningeal spaces.	2.31	1	0
Enlarged Spleen [description not available]	2.63	2	0
Alveolitis, Fibrosing [description not available]	8.87	89	0
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	8.87	89	0
Cerebrospinal Fluid Drainage [description not available]	2.41	1	0
Granulomas [description not available]	5.11	15	0
Granuloma A relatively small nodular inflammatory lesion containing grouped mononuclear phagocytes, caused by infectious and noninfectious agents.	5.11	15	0
Malignant Mesothelioma [description not available]	5.9	10	0
Inadequate Sleep [description not available]	2.31	1	0
Pulmonary Sarcoidosis [description not available]	3.1	4	0
Autosomal Recessive Chronic Granulomatous Disease [description not available]	3.11	4	0
Granulomatous Disease, Chronic A defect of leukocyte function in which phagocytic cells ingest but fail to digest bacteria, resulting in recurring bacterial infections with granuloma formation. When chronic granulomatous disease is caused by mutations in the CYBB gene, the condition is inherited in an X-linked recessive pattern. When chronic granulomatous disease is caused by CYBA, NCF1, NCF2, or NCF4 gene mutations, the condition is inherited in an autosomal recessive pattern.	3.11	4	0
Sarcoidosis, Pulmonary Sarcoidosis affecting predominantly the lungs, the site most frequently involved and most commonly causing morbidity and mortality in sarcoidosis. Pulmonary sarcoidosis is characterized by sharply circumscribed granulomas in the alveolar, bronchial, and vascular walls, composed of tightly packed cells derived from the mononuclear phagocyte system. The clinical symptoms when present are dyspnea upon exertion, nonproductive cough, and wheezing. (Cecil Textbook of Medicine, 19th ed, p431)	3.1	4	0
Cells, Neoplasm Circulating [description not available]	6.62	10	1
Avian Flu [description not available]	2.82	3	0
Influenza in Birds Infection of domestic and wild fowl and other BIRDS with INFLUENZA A VIRUS. Avian influenza usually does not sicken birds, but can be highly pathogenic and fatal in domestic POULTRY.	2.82	3	0
Bacterial Vaginitides [description not available]	2.41	1	0
Vaginosis, Bacterial Polymicrobial, nonspecific vaginitis associated with positive cultures of Gardnerella vaginalis and other anaerobic organisms and a decrease in lactobacilli. It remains unclear whether the initial pathogenic event is caused by the growth of anaerobes or a primary decrease in lactobacilli.	2.41	1	0
Cane-Cutter Fever [description not available]	2.61	2	0
Leptospirosis Infections with bacteria of the genus LEPTOSPIRA.	2.61	2	0
Mesothelioma A tumor derived from mesothelial tissue (peritoneum, pleura, pericardium). It appears as broad sheets of cells, with some regions containing spindle-shaped, sarcoma-like cells and other regions showing adenomatous patterns. Pleural mesotheliomas have been linked to exposure to asbestos. (Dorland, 27th ed)	8.31	47	0
Skin Aging The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight.	3.33	1	0
Abdominal Aortic Aneurysm [description not available]	2.6	1	0
Aortic Aneurysm, Abdominal An abnormal balloon- or sac-like dilatation in the wall of the ABDOMINAL AORTA which gives rise to the visceral, the parietal, and the terminal (iliac) branches below the aortic hiatus at the diaphragm.	2.6	1	0
Cirrhosis [description not available]	7.67	38	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	7.67	38	0
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	6.97	23	3
DNA Virus Infections Diseases caused by DNA VIRUSES.	3.74	8	0
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted [description not available]	5.78	3	1
Hepatitis C INFLAMMATION of the LIVER in humans caused by HEPATITIS C VIRUS, a single-stranded RNA virus. Its incubation period is 30-90 days. Hepatitis C is transmitted primarily by contaminated blood parenterally and is often associated with transfusion and intravenous drug abuse. However, in a significant number of cases, the source of hepatitis C infection is unknown.	5.78	3	1
Breathlessness [description not available]	3.8	1	1
Dyspnea Difficult or labored breathing.	3.8	1	1
Dysphagia [description not available]	3.8	1	1
Deglutition Disorders Difficulty in SWALLOWING which may result from neuromuscular disorder or mechanical obstruction. Dysphagia is classified into two distinct types: oropharyngeal dysphagia due to malfunction of the PHARYNX and UPPER ESOPHAGEAL SPHINCTER; and esophageal dysphagia due to malfunction of the ESOPHAGUS.	3.8	1	1
Bone Cancer [description not available]	6.39	14	1
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	6.39	14	1
Caries, Dental [description not available]	4.21	3	1
Demineralization, Tooth [description not available]	2.41	1	0
Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.	4.21	3	1
Neoplasms, Pleural [description not available]	5.12	6	0
Cardiac Rupture, Traumatic [description not available]	3.48	2	0
Peritoneal Carcinomatosis [description not available]	4.87	7	0
Peritoneal Neoplasms Tumors or cancer of the PERITONEUM.	4.87	7	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	2.6	1	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	2.6	1	0
Cholangiocellular Carcinoma [description not available]	4.9	2	1
Degenerative Diseases, Central Nervous System [description not available]	7.37	8	1
DDPAC [description not available]	4.91	1	1
Fatty Liver, Nonalcoholic [description not available]	6.09	5	2
ALS - Amyotrophic Lateral Sclerosis [description not available]	4.91	1	1
Bile Duct Cancer [description not available]	4.9	2	1
African Lymphoma [description not available]	5.14	3	1
Vibrio cholerae Infection [description not available]	4.96	2	1
Cardiomyopathies, Primary [description not available]	4.91	1	1
Embolism, Pulmonary [description not available]	4.91	1	1
Breathing Sounds [description not available]	4.91	1	1
Endotoxin Shock [description not available]	4.91	1	1
Critical Illness A disease or state in which death is possible or imminent.	5.36	2	2
Hoarseness An unnaturally deep or rough quality of voice.	4.91	1	1
Chemical and Drug Induced Liver Injury, Chronic Liver disease lasting six months or more, caused by an adverse effect of a drug or chemical. The adverse effect may be caused by drugs, drug metabolites, chemicals from the environment, or an idiosyncratic response.	5.15	3	1
Bronchospasm, Exercise-Induced [description not available]	4.91	1	1
Amyotrophic Lateral Sclerosis A degenerative disorder affecting upper MOTOR NEURONS in the brain and lower motor neurons in the brain stem and SPINAL CORD. Disease onset is usually after the age of 50 and the process is usually fatal within 3 to 6 years. Clinical manifestations include progressive weakness, atrophy, FASCICULATION, hyperreflexia, DYSARTHRIA, dysphagia, and eventual paralysis of respiratory function. Pathologic features include the replacement of motor neurons with fibrous ASTROCYTES and atrophy of anterior SPINAL NERVE ROOTS and corticospinal tracts. (From Adams et al., Principles of Neurology, 6th ed, pp1089-94)	4.91	1	1
Asthma, Exercise-Induced Asthma attacks following a period of exercise. Usually the induced attack is short-lived and regresses spontaneously. The magnitude of postexertional airway obstruction is strongly influenced by the environment in which exercise is performed (i.e. inhalation of cold air during physical exertion markedly augments the severity of the airway obstruction; conversely, warm humid air blunts or abolishes it).	4.91	1	1
Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.	4.99	2	1
Bile Duct Neoplasms Tumors or cancer of the BILE DUCTS.	4.9	2	1
Burkitt Lymphoma A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative.	5.14	3	1
Cholera An acute diarrheal disease endemic in India and Southeast Asia whose causative agent is VIBRIO CHOLERAE. This condition can lead to severe dehydration in a matter of hours unless quickly treated.	4.96	2	1
Cardiomyopathies A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).	4.91	1	1
Pulmonary Embolism Blocking of the PULMONARY ARTERY or one of its branches by an EMBOLUS.	4.91	1	1
Respiratory Sounds Noises, normal and abnormal, heard on auscultation over any part of the RESPIRATORY TRACT.	4.91	1	1
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	4.91	1	1
Cholangiocarcinoma A malignant tumor arising from the epithelium of the BILE DUCTS.	4.9	2	1
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	7.37	8	1
Azoospermia A condition of having no sperm present in the ejaculate (SEMEN).	4.91	1	1
Sarcopenia Progressive decline in muscle mass due to aging which results in decreased functional capacity of muscles.	4.91	1	1
Frontotemporal Dementia The most common clinical form of FRONTOTEMPORAL LOBAR DEGENERATION, this dementia presents with personality and behavioral changes often associated with disinhibition, apathy, and lack of insight.	4.91	1	1
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	6.09	5	2
Infections, Respiratory Syncytial Virus [description not available]	2.6	1	0
Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported.	2.6	1	0
Cardiac Toxicity [description not available]	2.6	1	0
Cardiotoxicity Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.	2.6	1	0
Leishmania Infection [description not available]	2.59	2	0
Leishmaniasis A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL).	2.59	2	0
Endotoxemia A condition characterized by the presence of ENDOTOXINS in the blood. On lysis, the outer cell wall of gram-negative bacteria enters the systemic circulation and initiates a pathophysiologic cascade of pro-inflammatory mediators.	3.14	1	0
Iron Overload An excessive accumulation of iron in the body due to a greater than normal absorption of iron from the gastrointestinal tract or from parenteral injection. This may arise from idiopathic hemochromatosis, excessive iron intake, chronic alcoholism, certain types of refractory anemia, or transfusional hemosiderosis. (From Churchill's Illustrated Medical Dictionary, 1989)	3.88	3	0
Chromosomal Instability An increased tendency to acquire CHROMOSOME ABERRATIONS when various processes involved in chromosome replication, repair, or segregation are dysfunctional.	3.52	1	0
Cytomegalic Inclusion Disease [description not available]	2.6	1	0
Viral Diseases [description not available]	4.01	4	0
Cytomegalovirus Infections Infection with CYTOMEGALOVIRUS, characterized by enlarged cells bearing intranuclear inclusions. Infection may be in almost any organ, but the salivary glands are the most common site in children, as are the lungs in adults.	2.6	1	0
Virus Diseases A general term for diseases caused by viruses.	4.01	4	0
Cancer of Cervix [description not available]	6.89	12	0
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	6.89	12	0
Lesion of Sciatic Nerve [description not available]	2.59	2	0
Crush Fractures [description not available]	2.6	1	0
Hyperthermia An abnormal elevation of body temperature, usually as a result of inability to regulate core body temperature due to non-pathologic factors.	2.6	1	0
Electron Transport Chain Deficiencies, Mitochondrial [description not available]	2.21	1	0
Mitochondrial Diseases Diseases caused by abnormal function of the MITOCHONDRIA. They may be caused by mutations, acquired or inherited, in mitochondrial DNA or in nuclear genes that code for mitochondrial components. They may also be the result of acquired mitochondria dysfunction due to adverse effects of drugs, infections, or other environmental causes.	2.21	1	0
Infections, Rhabdoviridae [description not available]	3.3	5	0
Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.	2.21	1	0
Infections, Orthomyxoviridae [description not available]	3.04	4	0
Orthomyxoviridae Infections Virus diseases caused by the ORTHOMYXOVIRIDAE.	3.04	4	0
B Virus Infection [description not available]	3.64	1	1
Anaplasma Infection [description not available]	2.55	2	0
Dementia Praecox [description not available]	2.63	2	0
Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.	2.63	2	0
Cardiac Diseases [description not available]	2.25	1	0
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	2.25	1	0
Neonatal Early-Onset Sepsis [description not available]	2.25	1	0
Neonatal Sepsis Blood infection that occurs in an infant younger than 90 days old. Early-onset sepsis is seen in the first week of life and most often appears within 24 hours of birth. Late-onset occurs after 1 week and before 3 months of age.	2.25	1	0
Gastric Outlet Obstruction The hindering of output from the STOMACH into the SMALL INTESTINE. This obstruction may be of mechanical or functional origin such as EDEMA from PEPTIC ULCER; NEOPLASMS; FOREIGN BODIES; or AGING.	3.42	1	1
Cardiometabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY.	3.89	2	1
Leanness [description not available]	3.42	1	1
Thrombopenia [description not available]	3.42	1	1
Anemia, Splenic [description not available]	3.42	1	1
Infection, Postoperative Wound [description not available]	3.42	1	1
Thrombocytopenia A subnormal level of BLOOD PLATELETS.	3.42	1	1
Metabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state.	3.89	2	1
Sarcoma 180 An experimental sarcoma of mice.	2.82	3	0
Amyotrophy, Thenar, Of Carpal Origin [description not available]	2.25	1	0
Carpal Tunnel Syndrome Entrapment of the MEDIAN NERVE in the carpal tunnel, which is formed by the flexor retinaculum and the CARPAL BONES. This syndrome may be associated with repetitive occupational trauma (CUMULATIVE TRAUMA DISORDERS); wrist injuries; AMYLOID NEUROPATHIES; rheumatoid arthritis (see ARTHRITIS, RHEUMATOID); ACROMEGALY; PREGNANCY; and other conditions. Symptoms include burning pain and paresthesias involving the ventral surface of the hand and fingers which may radiate proximally. Impairment of sensation in the distribution of the median nerve and thenar muscle atrophy may occur. (Joynt, Clinical Neurology, 1995, Ch51, p45)	2.25	1	0
Chronic Lung Injury [description not available]	5.91	15	0
Lymph Node Metastasis [description not available]	9.28	16	1
Besnier-Boeck Disease [description not available]	4.01	4	0
Sarcoidosis An idiopathic systemic inflammatory granulomatous disorder comprised of epithelioid and multinucleated giant cells with little necrosis. It usually invades the lungs with fibrosis and may also involve lymph nodes, skin, liver, spleen, eyes, phalangeal bones, and parotid glands.	4.01	4	0
Congenital Zika Syndrome [description not available]	2.31	1	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.31	1	0
Foreign Bodies Inanimate objects that become enclosed in the body.	3.23	1	0
Break-Bone Fever [description not available]	3.37	6	0
Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue.	3.37	6	0
Acute-Phase Reaction An early local inflammatory reaction to insult or injury that consists of fever, an increase in inflammatory humoral factors, and an increased synthesis by hepatocytes of a number of proteins or glycoproteins usually found in the plasma.	3.03	4	0
Cardiac Cancer [description not available]	2.15	1	0
HPV Infection [description not available]	2.5	2	0
Papillomavirus Infections Neoplasms of the skin and mucous membranes caused by papillomaviruses. They are usually benign but some have a high risk for malignant progression.	2.5	2	0
Hospital-Acquired Condition [description not available]	3.06	1	0
Infections, Salmonella [description not available]	2.52	2	0
Apraxia, Ideokinetic [description not available]	2.13	1	0
Multiple Chronic Conditions Two or more concurrent chronic physical, mental, or behavioral health problems in an individual.	2.15	1	0
Cyst [description not available]	2.15	1	0
Granuloma, Respiratory Tract Granulomatous disorders affecting one or more sites in the respiratory tract.	4.58	9	0
Autosomal Dominant Juvenile Parkinson Disease [description not available]	2.55	2	0
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	2.55	2	0
Abortion, Veterinary Premature expulsion of the FETUS in animals.	3.06	1	0
Blastocyst Disintegration [description not available]	3.06	1	0
Encapsulating Peritoneal Sclerosis [description not available]	2.15	1	0
Atrophy, Muscle [description not available]	2.52	2	0
Muscular Atrophy Derangement in size and number of muscle fibers occurring with aging, reduction in blood supply, or following immobilization, prolonged weightlessness, malnutrition, and particularly in denervation.	2.52	2	0
Neurovisceral Storage Disease with Vertical Supranuclear Ophthalmoplegia [description not available]	2.15	1	0
Niemann-Pick Disease, Type C An autosomal recessive lipid storage disorder that is characterized by accumulation of CHOLESTEROL and SPHINGOMYELINS in cells of the VISCERA and the CENTRAL NERVOUS SYSTEM. Type C (or C1) and type D are allelic disorders caused by mutation of the NPC1 gene, which encodes a protein that mediates intracellular cholesterol transport from LYSOSOMES. Clinical signs include hepatosplenomegaly and chronic neurological symptoms. Type D is a variant in people with a Nova Scotia ancestry.	2.15	1	0
Adult Spinal Muscular Atrophy [description not available]	2.17	1	0
Muscular Atrophy, Spinal A group of disorders marked by progressive degeneration of motor neurons in the spinal cord resulting in weakness and muscular atrophy, usually without evidence of injury to the corticospinal tracts. Diseases in this category include Werdnig-Hoffmann disease and later onset SPINAL MUSCULAR ATROPHIES OF CHILDHOOD, most of which are hereditary. (Adams et al., Principles of Neurology, 6th ed, p1089)	2.17	1	0
Mycoplasma dispar Infection [description not available]	2.15	1	0
Aspiration, Respiratory [description not available]	3.02	4	0
alpha-L-Iduronidase Deficiency [description not available]	2.17	1	0
Mucopolysaccharidosis I Systemic lysosomal storage disease caused by a deficiency of alpha-L-iduronidase (IDURONIDASE) and characterized by progressive physical deterioration with urinary excretion of DERMATAN SULFATE and HEPARAN SULFATE. There are three recognized phenotypes representing a spectrum of clinical severity from severe to mild: Hurler syndrome, Hurler-Scheie syndrome and Scheie syndrome (formerly mucopolysaccharidosis V). Symptoms may include DWARFISM; hepatosplenomegaly; thick, coarse facial features with low nasal bridge; corneal clouding; cardiac complications; and noisy breathing.	2.17	1	0
Lung Adenocarcinoma [description not available]	3.03	4	0
Adenocarcinoma of Lung A carcinoma originating in the lung and the most common lung cancer type in never-smokers. Malignant cells exhibit distinct features such as glandular epithelial, or tubular morphology. Mutations in KRAS, EGFR, BRAF, and ERBB2 genes are associated with this cancer.	3.03	4	0
Allergy, Peanut [description not available]	2.58	2	0
Peanut Hypersensitivity Allergic reaction to peanuts that is triggered by the immune system.	2.58	2	0
Cancer of Mouth [description not available]	2.58	2	0
Mouth Neoplasms Tumors or cancer of the MOUTH.	2.58	2	0
Dyslipidemia [description not available]	2.53	2	0
Dyslipidemias Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL.	2.53	2	0
Hepatoblastoma A malignant neoplasm occurring in young children, primarily in the liver, composed of tissue resembling embryonal or fetal hepatic epithelium, or mixed epithelial and mesenchymal tissues. (Stedman, 25th ed)	2.17	1	0
Cicatrix, Hypertrophic An elevated scar, resembling a KELOID, but which does not spread into surrounding tissues. It is formed by enlargement and overgrowth of cicatricial tissue and regresses spontaneously.	2.17	1	0
Ear Diseases Pathological processes of the ear, the hearing, and the equilibrium system of the body.	2.17	1	0
Nasal Catarrh [description not available]	2.17	1	0
Sinus Infections [description not available]	2.17	1	0
Rhinitis Inflammation of the NASAL MUCOSA, the mucous membrane lining the NASAL CAVITIES.	2.17	1	0
Sinusitis Inflammation of the NASAL MUCOSA in one or more of the PARANASAL SINUSES.	2.17	1	0
Viremia The presence of viruses in the blood.	2.17	1	0
Osteoporotic Fractures Breaks in bones resulting from low bone mass and microarchitectural deterioration characteristic of OSTEOPOROSIS.	3.5	2	0
Drug Withdrawal Symptoms [description not available]	3.09	1	0
Nicotine Addiction [description not available]	3.09	1	0
Substance Withdrawal Syndrome Physiological and psychological symptoms associated with withdrawal from the use of a drug after prolonged administration or habituation. The concept includes withdrawal from smoking or drinking, as well as withdrawal from an administered drug.	3.09	1	0
Tobacco Use Disorder Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.	3.09	1	0
Smoking Cessation Discontinuing the habit of SMOKING.	3.09	1	0
Injury, Myocardial Reperfusion [description not available]	2.78	3	0
Bone Tuberculosis [description not available]	2.21	1	0
Infection [description not available]	4.12	3	0
Infections Invasion of the host organism by microorganisms or their toxins or by parasites that can cause pathological conditions or diseases.	4.12	3	0
Kahler Disease [description not available]	2.17	1	0
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	2.17	1	0
Adenocarcinoma, Alveolar [description not available]	2.51	2	0
Adenocarcinoma, Bronchiolo-Alveolar A carcinoma derived from epithelium of terminal bronchioles, in which the neoplastic tissue extends along the alveolar walls and grows in small masses within the alveoli. Involvement may be uniformly diffuse and massive, or nodular, or lobular. The neoplastic cells are cuboidal or columnar and form papillary structures. Mucin may be demonstrated in some of the cells and in the material in the alveoli, which also includes denuded cells. Metastases in regional lymph nodes, and in even more distant sites, are known to occur, but are infrequent. (From Stedman, 25th ed)	2.51	2	0
Leukemia, Lymphocytic, T Cell [description not available]	2.31	1	0
Leukemia, T-Cell A malignant disease of the T-LYMPHOCYTES in the bone marrow, thymus, and/or blood.	2.31	1	0
Hematologic Malignancies [description not available]	2.21	1	0
Hematologic Neoplasms Neoplasms located in the blood and blood-forming tissue (the bone marrow and lymphatic tissue). The commonest forms are the various types of LEUKEMIA, of LYMPHOMA, and of the progressive, life-threatening forms of the MYELODYSPLASTIC SYNDROMES.	2.21	1	0
Cot Death [description not available]	2.21	1	0
Chromosome-Defective Micronuclei [description not available]	4.86	12	0
B. burgdorferi Infection [description not available]	2.5	2	0
Lyme Disease An infectious disease caused by a spirochete, BORRELIA BURGDORFERI, which is transmitted chiefly by Ixodes dammini (see IXODES) and pacificus ticks in the United States and Ixodes ricinis (see IXODES) in Europe. It is a disease with early and late cutaneous manifestations plus involvement of the nervous system, heart, eye, and joints in variable combinations. The disease was formerly known as Lyme arthritis and first discovered at Old Lyme, Connecticut.	2.5	2	0
Vascular Calcification Deposition of calcium into the blood vessel structures. Excessive calcification of the vessels are associated with ATHEROSCLEROTIC PLAQUES formation particularly after MYOCARDIAL INFARCTION (see MONCKEBERG MEDIAL CALCIFIC SCLEROSIS) and chronic kidney diseases which in turn increase VASCULAR STIFFNESS.	2.08	1	0
ARC [description not available]	2.08	1	0
AIDS-Related Complex A prodromal phase of infection with the human immunodeficiency virus (HIV). Laboratory criteria separating AIDS-related complex (ARC) from AIDS include elevated or hyperactive B-cell humoral immune responses, compared to depressed or normal antibody reactivity in AIDS; follicular or mixed hyperplasia in ARC lymph nodes, leading to lymphocyte degeneration and depletion more typical of AIDS; evolving succession of histopathological lesions such as localization of Kaposi's sarcoma, signaling the transition to the full-blown AIDS.	2.08	1	0
Allergic Encephalomyelitis [description not available]	2.08	1	0
Allodynia [description not available]	2.51	2	0
Pleural Diseases Diseases involving the PLEURA.	3.86	2	0
Genome Instability [description not available]	2.08	1	0
Plasmodium vivax Malaria [description not available]	3.43	2	0
Malaria, Vivax Malaria caused by PLASMODIUM VIVAX. This form of malaria is less severe than MALARIA, FALCIPARUM, but there is a higher probability for relapses to occur. Febrile paroxysms often occur every other day.	3.43	2	0
Arteriosclerosis, Coronary [description not available]	2.08	1	0
Coronary Artery Disease Pathological processes of CORONARY ARTERIES that may derive from a congenital abnormality, atherosclerotic, or non-atherosclerotic cause.	2.08	1	0
Antibiotic-Associated Colitis [description not available]	2.1	1	0
Enterocolitis, Pseudomembranous An acute inflammation of the INTESTINAL MUCOSA that is characterized by the presence of pseudomembranes or plaques in the SMALL INTESTINE (pseudomembranous enteritis) and the LARGE INTESTINE (pseudomembranous colitis). It is commonly associated with antibiotic therapy and CLOSTRIDIUM DIFFICILE colonization.	2.1	1	0
Bronchial Pneumonia [description not available]	2.1	1	0
Adenitis [description not available]	2.1	1	0
Carcinoma, Small Cell Lung [description not available]	2.52	2	0
Small Cell Lung Carcinoma A form of highly malignant lung cancer that is composed of small ovoid cells (SMALL CELL CARCINOMA).	2.52	2	0
Abortion, Tubal [description not available]	2.1	1	0
Abortion, Spontaneous Expulsion of the product of FERTILIZATION before completing the term of GESTATION and without deliberate interference.	2.1	1	0
Nasopharyngeal Carcinoma A carcinoma that originates in the EPITHELIUM of the NASOPHARYNX and includes four subtypes: keratinizing squamous cell, non-keratinizing, basaloid squamous cell, and PAPILLARY ADENOCARCINOMA. It is most prevalent in Southeast Asian populations and is associated with EPSTEIN-BARR VIRUS INFECTIONS. Somatic mutations associated with this cancer have been identified in NPCR, BAP1, UBAP1, ERBB2, ERBB3, MLL2, PIK3CA, KRAS, NRAS, and ARID1A genes.	2.52	2	0
Cancer of Nasopharynx [description not available]	2.52	2	0
Nasopharyngeal Neoplasms Tumors or cancer of the NASOPHARYNX.	2.52	2	0
Devic Disease [description not available]	2.52	2	0
Neuromyelitis Optica A syndrome characterized by acute OPTIC NEURITIS; MYELITIS, TRANSVERSE; demyelinating and/or necrotizing lesions in the OPTIC NERVES and SPINAL CORD; and presence of specific autoantibodies to AQUAPORIN 4.	2.52	2	0
Histomoniasis [description not available]	2.1	1	0
Acute Lymphoid Leukemia [description not available]	2.48	2	0
Precursor Cell Lymphoblastic Leukemia-Lymphoma A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.	2.48	2	0
Bacterial Endocarditides [description not available]	2.1	1	0
Endocarditis, Bacterial Inflammation of the ENDOCARDIUM caused by BACTERIA that entered the bloodstream. The strains of bacteria vary with predisposing factors, such as CONGENITAL HEART DEFECTS; HEART VALVE DISEASES; HEART VALVE PROSTHESIS IMPLANTATION; or intravenous drug use.	2.1	1	0
Infections, Reoviridae [description not available]	4.41	4	1
Eosinophilia, Tropical [description not available]	2.5	2	0
Eosinophilia Abnormal increase of EOSINOPHILS in the blood, tissues or organs.	2.5	2	0
Hypercoagulability [description not available]	2.1	1	0
Anemia, Hemolytic, Acquired [description not available]	2.1	1	0
Anemia, Hemolytic A condition of inadequate circulating red blood cells (ANEMIA) or insufficient HEMOGLOBIN due to premature destruction of red blood cells (ERYTHROCYTES).	2.1	1	0
Thrombophilia A disorder of HEMOSTASIS in which there is a tendency for the occurrence of THROMBOSIS.	2.1	1	0
Idiopathic Hypoparathyroidism A condition of low or absent PTH level and HYPOCALCEMIA. It usually occurs as part of an autoimmune syndrome.	2.1	1	0
Hypoparathyroidism A condition caused by a deficiency of PARATHYROID HORMONE (or PTH). It is characterized by HYPOCALCEMIA and hyperphosphatemia. Hypocalcemia leads to TETANY. The acquired form is due to removal or injuries to the PARATHYROID GLANDS. The congenital form is due to mutations of genes, such as TBX1; (see DIGEORGE SYNDROME); CASR encoding CALCIUM-SENSING RECEPTOR; or PTH encoding parathyroid hormone.	2.1	1	0
Eosinophilia, Pulmonary [description not available]	2.11	1	0
Pulmonary Eosinophilia A condition characterized by infiltration of the lung with EOSINOPHILS due to inflammation or other disease processes. Major eosinophilic lung diseases are the eosinophilic pneumonias caused by infections, allergens, or toxic agents.	2.11	1	0
Experimental Hepatoma [description not available]	2.52	2	0
Segond Fracture [description not available]	5.47	8	2
Tibial Fractures Fractures of the TIBIA.	5.47	8	2
Infections, RNA Virus [description not available]	2.11	1	0
Adjuvant Arthritis [description not available]	2.49	2	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	2.11	1	0
Herpes Simplex Virus Infection [description not available]	2.13	1	0
Herpes Simplex A group of acute infections caused by herpes simplex virus type 1 or type 2 that is characterized by the development of one or more small fluid-filled vesicles with a raised erythematous base on the skin or mucous membrane. It occurs as a primary infection or recurs due to a reactivation of a latent infection. (Dorland, 27th ed.)	2.13	1	0
Foreign-Body Reaction Chronic inflammation and granuloma formation around irritating foreign bodies.	6.46	24	0
Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus.	2.13	1	0
Muscle Relaxation That phase of a muscle twitch during which a muscle returns to a resting position.	2.13	1	0
Age-Related Memory Disorders [description not available]	2.48	2	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	2.48	2	0
Pleurisy INFLAMMATION of PLEURA, the lining of the LUNG. When PARIETAL PLEURA is involved, there is pleuritic CHEST PAIN.	2.78	3	0
Lactic Acidosis [description not available]	2.15	1	0
Acidosis, Lactic Acidosis caused by accumulation of lactic acid more rapidly than it can be metabolized. It may occur spontaneously or in association with diseases such as DIABETES MELLITUS; LEUKEMIA; or LIVER FAILURE.	2.15	1	0
Fungemia The presence of fungi circulating in the blood. Opportunistic fungal sepsis is seen most often in immunosuppressed patients with severe neutropenia or in postoperative patients with intravenous catheters and usually follows prolonged antibiotic therapy.	2.15	1	0
Bacteremia The presence of viable bacteria circulating in the blood. Fever, chills, tachycardia, and tachypnea are common acute manifestations of bacteremia. The majority of cases are seen in already hospitalized patients, most of whom have underlying diseases or procedures which render their bloodstreams susceptible to invasion.	2.15	1	0
Infections, Prosthesis-Related [description not available]	2.99	4	0
Diabetic Feet [description not available]	2.15	1	0
Foot Ulcer Lesion on the surface of the skin of the foot, usually accompanied by inflammation. The lesion may become infected or necrotic and is frequently associated with diabetes or leprosy.	2.15	1	0
Diabetic Foot Common foot problems in persons with DIABETES MELLITUS, caused by any combination of factors such as DIABETIC NEUROPATHIES; PERIPHERAL VASCULAR DISEASES; and INFECTION. With the loss of sensation and poor circulation, injuries and infections often lead to severe foot ulceration, GANGRENE and AMPUTATION.	2.15	1	0
Brain Inflammation [description not available]	2.15	1	0
Encephalitis Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition.	2.15	1	0
Aberrant Tissue [description not available]	2.15	1	0
Food Poisoning, Staphylococcal [description not available]	2.04	1	0
Mesothelial Neoplasms [description not available]	3.38	2	0
Granulomatosis, Wegener's [description not available]	2.04	1	0
Granulomatosis with Polyangiitis A multisystemic disease of a complex genetic background. It is characterized by inflammation of the blood vessels (VASCULITIS) leading to damage in any number of organs. The common features include granulomatous inflammation of the RESPIRATORY TRACT and KIDNEYS. Most patients have measurable autoantibodies (ANTINEUTROPHIL CYTOPLASMIC ANTIBODIES) against MYELOBLASTIN.	2.04	1	0
Ascites Accumulation or retention of free fluid within the peritoneal cavity.	2.05	1	0
Dermatitis Medicamentosa [description not available]	2.04	1	0
Infectious Endophthalmitis Infectious condition of the internal eye.	2.04	1	0
Endophthalmitis Suppurative inflammation of the tissues of the internal structures of the eye frequently associated with an infection.	2.04	1	0
Pulmonary Hypertension [description not available]	2.05	1	0
Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES.	2.05	1	0
B-Cell Lymphoma [description not available]	2.73	3	0
Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.	2.73	3	0
Diffuse Large B-Cell Lymphoma [description not available]	2.05	1	0
Lymphoma, Large B-Cell, Diffuse Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation.	2.05	1	0
Anaplastic Astrocytoma [description not available]	2.05	1	0
Astrocytoma Neoplasms of the brain and spinal cord derived from glial cells which vary from histologically benign forms to highly anaplastic and malignant tumors. Fibrillary astrocytomas are the most common type and may be classified in order of increasing malignancy (grades I through IV). In the first two decades of life, astrocytomas tend to originate in the cerebellar hemispheres; in adults, they most frequently arise in the cerebrum and frequently undergo malignant transformation. (From Devita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2013-7; Holland et al., Cancer Medicine, 3d ed, p1082)	2.05	1	0
Bronchial Hyperreactivity Tendency of the smooth muscle of the tracheobronchial tree to contract more intensely in response to a given stimulus than it does in the response seen in normal individuals. This condition is present in virtually all symptomatic patients with asthma. The most prominent manifestation of this smooth muscle contraction is a decrease in airway caliber that can be readily measured in the pulmonary function laboratory.	2.47	2	0
Anaphylactic Reaction [description not available]	2.05	1	0
Anaphylaxis An acute hypersensitivity reaction due to exposure to a previously encountered ANTIGEN. The reaction may include rapidly progressing URTICARIA, respiratory distress, vascular collapse, systemic SHOCK, and death.	2.05	1	0
Angor Pectoris [description not available]	2.05	1	0
Angina Pectoris The symptom of paroxysmal pain consequent to MYOCARDIAL ISCHEMIA usually of distinctive character, location and radiation. It is thought to be provoked by a transient stressful situation during which the oxygen requirements of the MYOCARDIUM exceed that supplied by the CORONARY CIRCULATION.	2.05	1	0
Prosthesis Durability [description not available]	6.32	36	0
Foreign-Body Granuloma [description not available]	3.12	5	0
Cancer of the Uterus [description not available]	2.05	1	0
Uterine Neoplasms Tumors or cancer of the UTERUS.	2.05	1	0
Leukemia, Acute Monocytic [description not available]	2.44	2	0
Leukemia, Monocytic, Acute An acute myeloid leukemia in which 80% or more of the leukemic cells are of monocytic lineage including monoblasts, promonocytes, and MONOCYTES.	2.44	2	0
Bone Diseases Diseases of BONES.	2.06	1	0
Black Fever [description not available]	2.47	2	0
Leishmaniasis, Visceral A chronic disease caused by LEISHMANIA DONOVANI and transmitted by the bite of several sandflies of the genera Phlebotomus and Lutzomyia. It is commonly characterized by fever, chills, vomiting, anemia, hepatosplenomegaly, leukopenia, hypergammaglobulinemia, emaciation, and an earth-gray color of the skin. The disease is classified into three main types according to geographic distribution: Indian, Mediterranean (or infantile), and African.	2.47	2	0
Bacillus anthracis Infection [description not available]	2.06	1	0
Anthrax An acute infection caused by the spore-forming bacteria BACILLUS ANTHRACIS. It commonly affects hoofed animals such as sheep and goats. Infection in humans often involves the skin (cutaneous anthrax), the lungs (inhalation anthrax), or the gastrointestinal tract. Anthrax is not contagious and can be treated with antibiotics.	2.06	1	0
Autoimmune Thyroiditis [description not available]	2.06	1	0
Infections, Staphylococcal Skin [description not available]	2.07	1	0
Staphylococcal Skin Infections Infections to the skin caused by bacteria of the genus STAPHYLOCOCCUS.	2.07	1	0
Splenic Diseases Diseases involving the SPLEEN.	2.07	1	0
Bed Sores [description not available]	2.4	2	0
Pressure Ulcer An ulceration caused by prolonged pressure on the SKIN and TISSUES when one stays in one position for a long period of time, such as lying in bed. The bony areas of the body are the most frequently affected sites which become ischemic (ISCHEMIA) under sustained and constant pressure.	2.4	2	0
Catheter-Associated Infections [description not available]	2.99	1	0
Toxoplasmosis, Animal Acquired infection of non-human animals by organisms of the genus TOXOPLASMA.	2.07	1	0
Auricular Cancer [description not available]	2.07	1	0
Ear Neoplasms Tumors or cancer of any part of the hearing and equilibrium system of the body (the EXTERNAL EAR, the MIDDLE EAR, and the INNER EAR).	2.07	1	0
Constriction, Pathological [description not available]	2.07	1	0
Constriction, Pathologic The condition of an anatomical structure's being constricted beyond normal dimensions.	2.07	1	0
Cerebrospinal Fluid Hypovolemia [description not available]	2.07	1	0
Acidosis, Diabetic [description not available]	2.08	1	0
Diabetic Ketoacidosis A life-threatening complication of diabetes mellitus, primarily of TYPE 1 DIABETES MELLITUS with severe INSULIN deficiency and extreme HYPERGLYCEMIA. It is characterized by KETOSIS; DEHYDRATION; and depressed consciousness leading to COMA.	2.08	1	0
Dilatation, Pathologic The condition of an anatomical structure's being dilated beyond normal dimensions.	2.07	1	0
Carotid Artery Thrombosis Blood clot formation in any part of the CAROTID ARTERIES. This may produce CAROTID STENOSIS or occlusion of the vessel, leading to TRANSIENT ISCHEMIC ATTACK; CEREBRAL INFARCTION; or AMAUROSIS FUGAX.	2.02	1	0
ATLL [description not available]	2.03	1	0
Leukemia-Lymphoma, Adult T-Cell Aggressive T-Cell malignancy with adult onset, caused by HUMAN T-LYMPHOTROPIC VIRUS 1. It is endemic in Japan, the Caribbean basin, Southeastern United States, Hawaii, and parts of Central and South America and sub-Saharan Africa.	2.03	1	0
Pheochromocytoma, Extra-Adrenal [description not available]	2.47	2	0
Pheochromocytoma A usually benign, well-encapsulated, lobular, vascular tumor of chromaffin tissue of the ADRENAL MEDULLA or sympathetic paraganglia. The cardinal symptom, reflecting the increased secretion of EPINEPHRINE and NOREPINEPHRINE, is HYPERTENSION, which may be persistent or intermittent. During severe attacks, there may be HEADACHE; SWEATING, palpitation, apprehension, TREMOR; PALLOR or FLUSHING of the face, NAUSEA and VOMITING, pain in the CHEST and ABDOMEN, and paresthesias of the extremities. The incidence of malignancy is as low as 5% but the pathologic distinction between benign and malignant pheochromocytomas is not clear. (Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1298)	2.47	2	0
Deficiency, Vitamin E [description not available]	2.03	1	0
Infections, Listeria [description not available]	2.04	1	0
Weight Reduction [description not available]	2.04	1	0
Weight Loss Decrease in existing BODY WEIGHT.	2.04	1	0
Spinal Neoplasms New abnormal growth of tissue in the SPINE.	6.54	17	0
Fracture, Pathologic [description not available]	4.11	4	0
Scoliosis An appreciable lateral deviation in the normally straight vertical line of the spine. (Dorland, 27th ed)	2.6	1	0
Corpus Luteum Cyst [description not available]	2.41	1	0
Ovarian Cysts General term for CYSTS and cystic diseases of the OVARY.	2.41	1	0
Greater Tuberosity Fractures [description not available]	3.67	8	0
Humeral Fractures Fractures of the HUMERUS.	3.43	5	0
Peripheral Arterial Diseases [description not available]	2.6	1	0
Ambulation Difficulty [description not available]	2.6	1	0
Intermittent Claudication A symptom complex characterized by pain and weakness in SKELETAL MUSCLE group associated with exercise, such as leg pain and weakness brought on by walking. Such muscle limpness disappears after a brief rest and is often relates to arterial STENOSIS; muscle ISCHEMIA; and accumulation of LACTATE.	2.6	1	0
Peripheral Arterial Disease Lack of perfusion in the EXTREMITIES resulting from atherosclerosis. It is characterized by INTERMITTENT CLAUDICATION, and an ANKLE BRACHIAL INDEX of 0.9 or less.	2.6	1	0
Intradural-Extramedullary Spinal Cord Neoplasms [description not available]	4.69	4	0
Spinal Cord Neoplasms Benign and malignant neoplasms which occur within the substance of the spinal cord (intramedullary neoplasms) or in the space between the dura and spinal cord (intradural extramedullary neoplasms). The majority of intramedullary spinal tumors are primary CNS neoplasms including ASTROCYTOMA; EPENDYMOMA; and LIPOMA. Intramedullary neoplasms are often associated with SYRINGOMYELIA. The most frequent histologic types of intradural-extramedullary tumors are MENINGIOMA and NEUROFIBROMA.	4.69	4	0
Hemiplegia, Crossed [description not available]	3.52	1	0
Hemiplegia Severe or complete loss of motor function on one side of the body. This condition is usually caused by BRAIN DISEASES that are localized to the cerebral hemisphere opposite to the side of weakness. Less frequently, BRAIN STEM lesions; cervical SPINAL CORD DISEASES; PERIPHERAL NERVOUS SYSTEM DISEASES; and other conditions may manifest as hemiplegia. The term hemiparesis (see PARESIS) refers to mild to moderate weakness involving one side of the body.	3.52	1	0
Hyperkyphosis [description not available]	3.41	2	0
Aseptic Necrosis of Bone [description not available]	2.21	1	0
Osteonecrosis Death of a bone or part of a bone, either atraumatic or posttraumatic.	2.21	1	0
Femoral Fractures Fractures of the femur.	5.34	12	1
Osteoarthritis of Knee [description not available]	2.45	2	0
Bow Leg [description not available]	2.21	1	0
Osteoarthritis, Knee Noninflammatory degenerative disease of the knee joint consisting of three large categories: conditions that block normal synchronous movement, conditions that produce abnormal pathways of motion, and conditions that cause stress concentration resulting in changes to articular cartilage. (Crenshaw, Campbell's Operative Orthopaedics, 8th ed, p2019)	2.45	2	0
Spinal Diseases Diseases involving the SPINE.	4.51	5	1
Intertrochanteric Fractures [description not available]	2.69	2	0
Fractures, Periprosthetic [description not available]	2.25	1	0
Hip Fractures Fractures of the FEMUR HEAD; the FEMUR NECK; (FEMORAL NECK FRACTURES); the trochanters; or the inter- or subtrochanteric region. Excludes fractures of the acetabulum and fractures of the femoral shaft below the subtrochanteric region (FEMORAL FRACTURES).	2.69	2	0
Fractures, Comminuted A fracture in which the bone is splintered or crushed into a number of pieces.	2.58	2	0
Discitis Inflammation of an INTERVERTEBRAL DISC or disk space which may lead to disk erosion. Until recently, discitis has been defined as a nonbacterial inflammation and has been attributed to aseptic processes (e.g., chemical reaction to an injected substance). However, recent studies provide evidence that infection may be the initial cause, but perhaps not the promoter, of most cases of discitis. Discitis has been diagnosed in patients following discography, myelography, lumbar puncture, paravertebral injection, and obstetrical epidural anesthesia. Discitis following chemonucleolysis (especially with chymopapain) is attributed to chemical reaction by some and to introduction of microorganisms by others.	2.72	2	0
Neurilemoma [description not available]	2.31	1	0
Neurilemmoma A neoplasm that arises from SCHWANN CELLS of the cranial, peripheral, and autonomic nerves. Clinically, these tumors may present as a cranial neuropathy, abdominal or soft tissue mass, intracranial lesion, or with spinal cord compression. Histologically, these tumors are encapsulated, highly vascular, and composed of a homogenous pattern of biphasic fusiform-shaped cells that may have a palisaded appearance. (From DeVita Jr et al., Cancer: Principles and Practice of Oncology, 5th ed, pp964-5)	2.31	1	0
Bimalleolar Ankle Fractures [description not available]	2.57	2	0
Ankle Fractures Fractures of any of the bones of the ANKLE.	2.57	2	0
Intra-Articular Fractures Fractures of the articular surface of a bone.	3.53	1	1
Radius Fractures Fractures of the RADIUS.	5.52	8	2
Teeth, Devitalized [description not available]	8.87	33	3
Injuries, Leg [description not available]	2.58	2	0
Mandibular Fractures Fractures of the lower jaw.	2.17	1	0
Osteolysis Dissolution of bone that particularly involves the removal or loss of calcium.	3.64	3	0
Injuries, Knee [description not available]	6.92	9	2
Knee Injuries Injuries to the knee or the knee joint.	6.92	9	2
Thoracic Neoplasms New abnormal growth of tissue in the THORAX.	2.21	1	0
Conducted Energy Weapon Injuries The injuries caused by conducted energy weapons such as stun guns, shock batons, and cattle prods.	2.08	1	0
Lordosis The anterior concavity in the curvature of the lumbar and cervical spine as viewed from the side. The term usually refers to abnormally increased curvature (hollow back, saddle back, swayback). It does not include lordosis as normal mating posture in certain animals ( = POSTURE + SEX BEHAVIOR, ANIMAL).	3.83	2	1
ACL Injuries [description not available]	4.02	5	0
Mandibular Diseases Diseases involving the MANDIBLE.	2.1	1	0
Cerebral Concussion [description not available]	2.1	1	0
Brain Concussion A nonspecific term used to describe transient alterations or loss of consciousness following closed head injuries. The duration of UNCONSCIOUSNESS generally lasts a few seconds, but may persist for several hours. Concussions may be classified as mild, intermediate, and severe. Prolonged periods of unconsciousness (often defined as greater than 6 hours in duration) may be referred to as post-traumatic coma (COMA, POST-HEAD INJURY). (From Rowland, Merritt's Textbook of Neurology, 9th ed, p418)	2.1	1	0
Glenoid Labral Tears [description not available]	2.1	1	0
Rotator Cuff Injuries Injuries to the ROTATOR CUFF of the shoulder joint.	2.1	1	0
Tooth Fractures Break or rupture of a tooth or tooth root.	9.53	27	4
Injuries, Wrist [description not available]	3.91	2	1
Coxarthrosis [description not available]	3.48	1	1
Osteoarthritis, Hip Noninflammatory degenerative disease of the hip joint which usually appears in late middle or old age. It is characterized by growth or maturational disturbances in the femoral neck and head, as well as acetabular dysplasia. A dominant symptom is pain on weight-bearing or motion.	3.48	1	1
Adrenal Cancer [description not available]	2.11	1	0
Plica Syndrome [description not available]	3.24	6	0
Synovitis Inflammation of the SYNOVIAL MEMBRANE.	3.24	6	0
Amyotonia Congenita [description not available]	2.48	2	0
Neuromuscular Diseases A general term encompassing lower MOTOR NEURON DISEASE; PERIPHERAL NERVOUS SYSTEM DISEASES; and certain MUSCULAR DISEASES. Manifestations include MUSCLE WEAKNESS; FASCICULATION; muscle ATROPHY; SPASM; MYOKYMIA; MUSCLE HYPERTONIA, myalgias, and MUSCLE HYPOTONIA.	2.48	2	0
Osteomyelitis INFLAMMATION of the bone as a result of infection. It may be caused by a variety of infectious agents, especially pyogenic (PUS - producing) BACTERIA.	3.96	1	0
Chondromalacia Softening and degeneration of the CARTILAGE.	2.13	1	0
Cartilage Diseases Pathological processes involving the chondral tissue (CARTILAGE).	2.13	1	0
Alveolar Bone Atrophy [description not available]	2.15	1	0
Hermanski-Pudlak Syndrome Syndrome characterized by the triad of oculocutaneous albinism (ALBINISM, OCULOCUTANEOUS); PLATELET STORAGE POOL DEFICIENCY; and lysosomal accumulation of ceroid lipofuscin.	2.46	2	0
Disc, Herniated [description not available]	5.58	9	2
Intervertebral Disc Displacement An INTERVERTEBRAL DISC in which the NUCLEUS PULPOSUS has protruded through surrounding ANNULUS FIBROSUS. This occurs most frequently in the lower lumbar region.	5.58	9	2
Tooth Discoloration Any change in the hue, color, or translucency of a tooth due to any cause. Restorative filling materials, drugs (both topical and systemic), pulpal necrosis, or hemorrhage may be responsible. (Jablonski, Dictionary of Dentistry, 1992, p253)	2.05	1	0
Foot Diseases Anatomical and functional disorders affecting the foot.	4.7	2	1
Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration.	3.63	3	0
Complication, Intraoperative [description not available]	3.46	1	1
Acetyl-CoA:alpha-Glucosaminide N-Acetyltransferase Deficiency [description not available]	2.07	1	0
Mucopolysaccharidosis III Mucopolysaccharidosis characterized by heparitin sulfate in the urine, progressive mental retardation, mild dwarfism, and other skeletal disorders. There are four clinically indistinguishable but biochemically distinct forms, each due to a deficiency of a different enzyme.	2.07	1	0
Injuries, Multiple [description not available]	2.1	1	0
Injuries, Tendon [description not available]	5.07	10	1
Spondylisthesis [description not available]	4.7	2	1
Anterior Cervical Pain [description not available]	4.88	4	2
Neck Pain Discomfort or more intense forms of pain that are localized to the cervical region. This term generally refers to pain in the posterior or lateral regions of the neck.	4.88	4	2
Pseudarthrosis A pathologic entity characterized by deossification of a weight-bearing long bone, followed by bending and pathologic fracture, with inability to form normal BONY CALLUS leading to existence of the false joint that gives the condition its name. (Dorland, 27th ed)	3.81	2	1
Attachment Loss, Periodontal [description not available]	3.4	1	1
Tooth Loss The failure to retain teeth as a result of disease or injury.	2.01	1	0
Blood Loss, Postoperative [description not available]	2.01	1	0
Coronary Restenosis Recurrent narrowing or constriction of a coronary artery following surgical procedures performed to alleviate a prior obstruction.	2.02	1	0
Abrasion, Dental [description not available]	2.02	1	0
Glaucoma, Neovascular A form of secondary glaucoma which develops as a consequence of another ocular disease and is attributed to the forming of new vessels in the angle of the anterior chamber.	2.02	1	0
Nerve Root Avulsion [description not available]	2.02	1	0
Osteophytosis, Spinal [description not available]	3.8	2	1
Radiculopathy Disease involving a spinal nerve root (see SPINAL NERVE ROOTS) which may result from compression related to INTERVERTEBRAL DISK DISPLACEMENT; SPINAL CORD INJURIES; SPINAL DISEASES; and other conditions. Clinical manifestations include radicular pain, weakness, and sensory loss referable to structures innervated by the involved nerve root.	2.02	1	0
Back Ache [description not available]	2.02	1	0
Back Pain Acute or chronic pain located in the posterior regions of the THORAX; LUMBOSACRAL REGION; or the adjacent regions.	2.02	1	0
Ulna Fractures Fractures of the larger bone of the forearm.	2.68	3	0
Enterocele An intestinal HERNIA.	2.03	1	0
Hernia Protrusion of tissue, structure, or part of an organ through the bone, muscular tissue, or the membrane by which it is normally contained. Hernia may involve tissues such as the ABDOMINAL WALL or the respiratory DIAPHRAGM. Hernias may be internal, external, congenital, or acquired.	2.03	1	0
Muscular Weakness [description not available]	3.82	2	1
Muscle Weakness A vague complaint of debility, fatigue, or exhaustion attributable to weakness of various muscles. The weakness can be characterized as subacute or chronic, often progressive, and is a manifestation of many muscle and neuromuscular diseases. (From Wyngaarden et al., Cecil Textbook of Medicine, 19th ed, p2251)	3.82	2	1
Muscular Atrophy, Postpoliomyelitis [description not available]	3.8	2	1
Postpoliomyelitis Syndrome A syndrome characterized by new neuromuscular symptoms that occur at least 15 years after clinical stability has been attained in patients with a prior history of symptomatic poliomyelitis. Clinical features include new muscular weakness and atrophy of the limbs, bulbar innervated musculature, and muscles of respiration, combined with excessive fatigue, joint pain, and reduced stamina. The process is marked by slow progression and periods of stabilization. (From Ann NY Acad Sci 1995 May 25;753:68-80)	3.8	2	1
Encephalitis, Polio [description not available]	2.03	1	0
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)	2.03	1	0
Dyskinesia Syndromes [description not available]	3.42	1	1
Movement Disorders Syndromes which feature DYSKINESIAS as a cardinal manifestation of the disease process. Included in this category are degenerative, hereditary, post-infectious, medication-induced, post-inflammatory, and post-traumatic conditions.	3.42	1	1
Ambulation Disorders, Neurologic [description not available]	2.03	1	0
Glenohumeral Dislocation [description not available]	2.39	2	0
Periapical Diseases Diseases of the PERIAPICAL TISSUE surrounding the root of the tooth, which is distinguished from DENTAL PULP DISEASES inside the TOOTH ROOT.	2.42	2	0
Inferior Dislocation [description not available]	3.07	5	0
Sprains [description not available]	2.03	1	0
Sprains and Strains A collective term for muscle and ligament injuries without dislocation or fracture. A sprain is a joint injury in which some of the fibers of a supporting ligament are ruptured but the continuity of the ligament remains intact. A strain is an overstretching or overexertion of some part of the musculature.	2.03	1	0
Tendinitis Inflammation of TENDONS. It is characterized by the degeneration of tendons accompanied by an inflammatory repair response, fibroblastic proliferation, and formation of granulation tissue. Tendinitis is not a clinical diagnosis and can be confirmed only by histopathological findings.	2.37	2	0
Tendinopathy Clinical syndrome describing overuse tendon injuries characterized by a combination of PAIN, diffuse or localized swelling, and impaired performance.	2.37	2	0
Chondrosarcoma A slowly growing malignant neoplasm derived from cartilage cells, occurring most frequently in pelvic bones or near the ends of long bones, in middle-aged and old people. Most chondrosarcomas arise de novo, but some may develop in a preexisting benign cartilaginous lesion or in patients with ENCHONDROMATOSIS. (Stedman, 25th ed)	1.96	1	0
Gait Disorders, Animal [description not available]	1.96	1	0
Canine Diseases [description not available]	2.65	3	0
Bucket Handle Tears [description not available]	2.37	2	0
Fractures, Compound [description not available]	1.96	1	0
Fractures, Closed Fractures in which the break in bone is not accompanied by an external wound.	1.96	1	0
Dermal Sinus [description not available]	1.96	1	0
Athletic Injuries Injuries incurred during participation in competitive or non-competitive sports.	3.34	1	1
Penile Diseases Pathological processes involving the PENIS or its component tissues.	1.96	1	0
Urinary Incontinence, Stress Involuntary discharge of URINE as a result of physical activities that increase abdominal pressure on the URINARY BLADDER without detrusor contraction or overdistended bladder. The subtypes are classified by the degree of leakage, descent and opening of the bladder neck and URETHRA without bladder contraction, and sphincter deficiency.	1.96	1	0
Enuresis Involuntary discharge of URINE after expected age of completed development of urinary control. This can happen during the daytime (DIURNAL ENURESIS) while one is awake or during sleep (NOCTURNAL ENURESIS). Enuresis can be in children or in adults (as persistent primary enuresis and secondary adult-onset enuresis).	1.96	1	0
Finger Injuries General or unspecified injuries involving the fingers.	1.96	1	0
Dermatitis, Irritant A non-allergic contact dermatitis caused by prolonged exposure to irritants and not explained by delayed hypersensitivity mechanisms.	1.99	1	0
Epulides [description not available]	1.99	1	0
Pocket, Periodontal [description not available]	1.99	1	0
Hemorrhage, Gingival [description not available]	1.99	1	0
Gingival Diseases Diseases involving the GINGIVA.	1.99	1	0
Gingival Hemorrhage The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY.	1.99	1	0
Periodontal Pocket An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption.	1.99	1	0
Cronobacter Infections [description not available]	1.99	1	0
Enterobacteriaceae Infections Infections with bacteria of the family ENTEROBACTERIACEAE.	1.99	1	0
Spondylitis Inflammation of the SPINE. This includes both arthritic and non-arthritic conditions.	1.99	1	0
Bone Cysts Benign unilocular lytic areas in the proximal end of a long bone with well defined and narrow endosteal margins. The cysts contain fluid and the cyst walls may contain some giant cells. Bone cysts usually occur in males between the ages 3-15 years.	2.91	1	0
Abnormality, Torsion [description not available]	1.99	1	0
Meniscitis [description not available]	2	1	0
Entrapment Neuropathies [description not available]	2.41	2	0
Hip Dislocation Displacement of the femur bone from its normal position at the HIP JOINT.	1.98	1	0
Ankle Injuries Harm or hurt to the ankle or ankle joint usually inflicted by an external source.	1.98	1	0
Shoulder Injuries Injuries involving the SHOULDERS and SHOULDER JOINT.	1.97	1	0
Muscular Dystrophy [description not available]	1.97	1	0
Muscular Dystrophies A heterogeneous group of inherited MYOPATHIES, characterized by wasting and weakness of the SKELETAL MUSCLE. They are categorized by the sites of MUSCLE WEAKNESS; AGE OF ONSET; and INHERITANCE PATTERNS.	1.97	1	0
Conus Medullaris Syndrome [description not available]	1.97	1	0
Mandibular Neoplasms Tumors or cancer of the MANDIBLE.	1.96	1	0
Ameloblastoma An immature epithelial tumor of the JAW originating from the epithelial rests of Malassez or from other epithelial remnants of the ENAMEL from the developmental period. It is a slowly growing tumor, usually benign, but displays a marked propensity for invasive growth.	1.96	1	0

methane

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Overview

Effects

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Treatment

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Pharmacokinetics

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Roles (3)

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Studies (38,144)

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Research Demand Index: 114.27

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methane

Description

Cross-References

Synonyms (1047)

Research Excerpts

Overview

Effects

Actions

Treatment

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Roles (3)

Drug Classes (4)

Pathways (7)

Bioassays (8)

Research

Studies (38,144)

Market Indicators

Research Demand Index: 114.27

Study Types

Related Drugs (3,139)

Related Conditions (1,410)