Page last updated: 2024-08-01 08:18:28

linoleic acid

Description

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) [MeSH]

linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. [CHeBI]

Cross-References

ID SourceID
PubMed CID5280450
CHEMBL ID267476
SCHEMBL ID7067
CHEBI ID17351
CHEBI ID137735
MeSH IDM0029355

Synonyms (186)

Synonym
9,12-octadecadienoic acid, (z,z)-, labeled with carbon-14
80969-37-5
14c-linoleic acid
(14c)-linoleic acid
(14c)alpha-linolenic acid
BRD-K08973992-001-03-9
c18:2
gtpl1052
all-cis-9,12-octadecadienoic acid
CHEBI:17351 ,
cis,cis-linoleic acid
(9z,12z)-octadeca-9,12-dienoic acid
c18:2 9c, 12c omega6 todos cis-9,12-octadienoico
acide linoleique
cis,cis-9,12-octadecadienoic acid
cis-delta(9,12)-octadecadienoic acid
c18:2, n-6,9 all-cis
linolic acid
acido linoleico
acide cis-linoleique
9z,12z-octadecadienoic acid
9,12-octadecadienoic acid (z,z)-
9,12-octadecadienoic acid (9z,12z)-
bdbm22231
chembl267476 ,
LIN ,
ACON1_000270
linoleic
nsc281243
vespula pensylvanica b708568k063
leinoleic acid
cis,12-octadecadienoic acid
nsc-281243
emersol 315
cis-9,cis-12-octadecadienoic acid
telfairic acid
9,12-linoleic acid
9,z)-
unifac 6550
9, (z)-
emersol 310
IDI1_033844
BSPBIO_001374
NCGC00091049-01
ai3-11132
hsdb 5200
alpha-linoleic acid
ccris 650
nsc 281243
cis-delta9,12-octadecadienoic acid
linoleic acid, pure
einecs 200-470-9
(z,z)-9,12-octadecadienoic acid
9-cis,12-cis-linoleic acid
9,12-octadecadienoic acid, (z,z)-
extra linoleic 90
(9z,12z)-octadecadienoic acid
C01595
linoleic acid
9-cis,12-cis-octadecadienoate
9-cis,12-cis-octadecadienoic acid
60-33-3
linoleic acid, >=99%
linoleic acid, liquid, bioreagent, suitable for cell culture
linoleic acid, >=93% (gc)
linoleic acid, >=95%
cis-9, cis-12-octadecadienoic acid
9z,12z-linoleic acid
leinolic acid
LMFA01030120
NCGC00091049-04
NCGC00091049-03
NCGC00091049-02
NCGC00091049-05
NCGC00091049-06
acid, 9,12-octadecadienoic
9,12 octadecadienoic acid
linoleic acid, technical, 60-74% (gc)
CHEBI:137735
HMS1989E16
5CE5E1F3-8859-4C5B-9AFE-E44A7076DF6E
ronacare asc 3
fema no. 3380, linoleic acid-
c18:2 (n-6)
BML3-C03
HMS1791E16
HMS1361E16
BMSE000497
BMSE000604
L0053
L0124
A832696
cis,cis-9,12-octadecadienoic acid; linoleate; emersol315; linoleic; unifac6550;
NCGC00091049-07
unii-9kjl21t0qj
9kjl21t0qj ,
dtxcid505505
cas-60-33-3
tox21_303080
dtxsid2025505 ,
NCGC00257024-01
NCGC00259720-01
tox21_202171
tox21_111067
AKOS015951293
9,12-octadecadienoic acid (van)
delta9,12-octadecadienoic acid
ai3-36448
9,12-octadecadienoic acid, (e,e)-
ccris 652
unii-7552p0k6pn
(9z,12z)-9,12-octadecadienoic-1-13c acid
85594-37-2
8016-21-5
vitamin f component linoleic acid
linoleic acid (constituent of saw palmetto) [dsc]
linoleic acid [vandf]
linoleic acid [fcc]
linoleic acid [hsdb]
linoleic acid [who-dd]
linoleic acid [mi]
linoleic acid [inci]
linoleic acid [mart.]
linoleic acid (constituent of spirulina) [dsc]
n-6,9 all-cis
EPITOPE ID:117705
12c omega6 todos cis-9,12-octadienoico
c18:2 9c
S5821
SCHEMBL7067
cis-.delta.9,12-octadecadienoic acid
pamolyn 125 (salt/mix)
octadeca-9,12-dienoic acid, (cis,cis)-
(z,z)-octadeca-9, 12-dienoic acid
9,12-octadecadienoic acid, cis,cis-
9-(z), 12-(z)-octadecadienoic acid
AC-33770
HMS3649F07
HMS3402E16
(9z,12z)-9,12-octadecadienoic acid
mfcd00064241
linoleic acid, 95%
cis-9,cis-12-octadecadienoic acid,
sr-01000944790
SR-01000944790-1
linoleic acid, analytical standard
linoleic acid, 2.0 mg/ml in ethanol, certified reference material
linoleic acid, >=95%, fg
linoleic acid, puriss., 90%
9-cis,12-cis-linoleate
all-cis-9,12-octadecadienoate
(z,z)-9,12-octadecadienoate
(9z,12z)-9,12-octadecadienoate
linolate
cis-d9,12-octadecadienoic acid
cis-d9,12-octadecadienoate
9z,12z-octadecadienoate
cis-9,cis-12-octadecadienoate
9z,12z-linoleate
Q407426
DB14104
AS-12672
SR-01000944790-3
HY-N0729
CS-0009742
HMS3886F05
linoleic-acid
acidelinoleique
cis,cis-octadeca-9,12-dienoic acid
BP-31121
fa(18:2(9z,12z))
30175-49-6
EN300-383983
fatty acid 18:2 n-6
polyin no.515
polylin no 515
cis, cis-octadeca-9,12-dienoic acid
linoleic acid (constituent of spirulina)
linoleic acid (constituent of flax seed oil)
(z)-9,12-octadecadienoic acid
linoleic acid (c18:2) (constituent of krill oil)
linoleic acid (constituent of borage seed oil)
linoleic acid (mart.)
linoleic acid (constituent of saw palmetto)
9,12-octadecadienoic acid, (z)-
cis,cis,9,12-octadecadienoic acid

Roles (3)

RoleDescription
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Daphnia galeata metaboliteA Daphnia metabolite produced by the species Daphnia galeata.
algal metaboliteAny eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.

Drug Classes (2)

ClassDescription
octadecadienoic acidAny straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds.
omega-6 fatty acidA family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid.

Pathways (417)

linoleic acid is involved in 417 pathway(s), involving a total of 4128 unique proteins and 7162 unique compounds

PathwayProteinsCompounds
Metabolism14961108
Metabolism of lipids500463
Fatty acid metabolism113203
alpha-linolenic (omega3) and linoleic (omega6) acid metabolism1041
Linoleic acid (LA) metabolism524
Alpha Linolenic Acid and Linoleic Acid Metabolism517
Triacylglycerol Degradation TG(16:0/16:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(16:0/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:0)513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:1(9Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:1(11Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/20:0)513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/22:0)513
Triacylglycerol Degradation TG(16:0/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(16:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(16:0/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(16:0/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/18:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:0/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:1(9Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:1(11Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/20:0)513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/22:0)513
Triacylglycerol Degradation TG(18:0/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(18:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(18:0/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:0/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:1(9Z)/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/20:0)513
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(18:1(9Z)/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(18:1(9Z)/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(9Z)/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:1(9Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(18:1(11Z)/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(18:1(11Z)/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/16:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/16:0/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:0/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:1(9Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(9Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:1(11Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/16:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/20:1(13Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:1(13Z))511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/20:1(11Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:0/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(11Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/16:0)59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:0)59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:1(9Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:1(11Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:2(9Z,12Z))58
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:3(6Z,9Z,12Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/18:3(9Z,12Z,15Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/20:0)59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/20:1(11Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/20:1(13Z))58
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/22:0)59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/20:1(13Z)/22:1(13Z))59
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/22:0)511
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:0/22:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/16:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/20:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/22:0)512
Triacylglycerol Degradation TG(18:2(9Z,12Z)/22:1(13Z)/22:1(13Z))511
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/16:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:1(9Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/20:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/20:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/22:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(6Z,9Z,12Z)/22:1(13Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/16:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/22:1(13Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/20:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/22:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/22:1(13Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(20:0/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:1(9Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:1(11Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/22:0)513
Triacylglycerol Degradation TG(20:0/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(20:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/20:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(20:0/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(20:0/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:0/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(20:1(11Z)/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/20:1(11Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(20:1(11Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(20:1(11Z)/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(11Z)/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(20:1(13Z)/16:0/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:0/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:1(9Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:1(11Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/16:0)511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:0)511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:1(9Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:1(11Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:2(9Z,12Z))510
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/20:0)511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/20:1(11Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/20:1(13Z))510
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/22:0)511
Triacylglycerol Degradation TG(20:1(13Z)/18:2(9Z,12Z)/22:1(13Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/20:0/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/20:1(11Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/20:1(13Z)/18:2(9Z,12Z))58
Triacylglycerol Degradation TG(20:1(13Z)/22:0/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(20:1(13Z)/22:1(13Z)/18:2(9Z,12Z))511
Triacylglycerol Degradation TG(22:0/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:1(9Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:1(11Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/20:1(11Z))513
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(22:0/18:2(9Z,12Z)/22:1(13Z))513
Triacylglycerol Degradation TG(22:0/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:0/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(22:0/22:0/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(22:0/22:1(13Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/16:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:1(9Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/16:0)512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:0)512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:1(9Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:1(11Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/20:0)512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/20:1(11Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/20:1(13Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/22:0)512
Triacylglycerol Degradation TG(22:1(13Z)/18:2(9Z,12Z)/22:1(13Z))512
Triacylglycerol Degradation TG(22:1(13Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/20:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/20:1(11Z)/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/20:1(13Z)/18:2(9Z,12Z))59
Triacylglycerol Degradation TG(22:1(13Z)/22:0/18:2(9Z,12Z))513
Triacylglycerol Degradation TG(22:1(13Z)/22:1(13Z)/18:2(9Z,12Z))512
Triacylglycerol Degradation TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))512
Metabolism of alpha-linolenic acid615
Omega-3 / omega-6 fatty acid synthesis038
Linoleic acid metabolism affected by SARS-CoV-2513
Linoleic acid oxylipin metabolism013
Mitochondrial beta-oxidation064
Elongation of (very) long chain fatty acids345
Octadecanoid formation from linoleic acid028
Folic acid network070
AtMetExpress overview0109
Selenium micronutrient network095
Omega-3 and omega-6 unsaturated fatty acids biosynthesis pathway014
9-LOX and 9-HPL pathway03
13-LOX and 13-HPL pathway08
Divinyl ether biosynthesis II (13-LOX)04

Protein Targets (80)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency56.2341AID485290
Chain A, HADH2 proteinHomo sapiens (human)Potency39.8107AID893
Chain B, HADH2 proteinHomo sapiens (human)Potency39.8107AID893
LuciferasePhotinus pyralis (common eastern firefly)Potency78.3431AID1224835
acetylcholinesteraseHomo sapiens (human)Potency89.3584AID1347397
15-lipoxygenase, partialHomo sapiens (human)Potency0.1585AID887
hypoxia-inducible factor 1 alpha subunitHomo sapiens (human)Potency61.1440AID1224846
RAR-related orphan receptor gammaMus musculus (house mouse)Potency75.7083AID1159521
SMAD family member 2Homo sapiens (human)Potency33.7354AID1346859; AID1346924
USP1 protein, partialHomo sapiens (human)Potency56.2341AID504865
SMAD family member 3Homo sapiens (human)Potency33.7354AID1346859; AID1346924
GLI family zinc finger 3Homo sapiens (human)Potency23.6269AID1259369; AID1259392
AR proteinHomo sapiens (human)Potency17.9981AID588516; AID743035; AID743036; AID743042; AID743054; AID743063
caspase 7, apoptosis-related cysteine proteaseHomo sapiens (human)Potency60.1373AID1346978
aldehyde dehydrogenase 1 family, member A1Homo sapiens (human)Potency17.7828AID1030
thyroid stimulating hormone receptorHomo sapiens (human)Potency31.6228AID926; AID938
estrogen receptor 2 (ER beta)Homo sapiens (human)Potency42.3970AID1259377; AID1259378
progesterone receptorHomo sapiens (human)Potency31.4536AID1346784; AID1346795
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency39.8960AID720691; AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency30.8520AID1159552; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency36.3071AID1159527; AID1159531; AID588544; AID588546
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency54.0150AID1224849; AID1259403
farnesoid X nuclear receptorHomo sapiens (human)Potency32.4106AID588526; AID743217
pregnane X nuclear receptorHomo sapiens (human)Potency60.6340AID1346982
estrogen nuclear receptor alphaHomo sapiens (human)Potency33.7616AID588513; AID743069; AID743075; AID743078
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency31.6228AID588534
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency37.0103AID588536; AID588537; AID743094; AID743140; AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency12.3013AID743222
caspase-3Homo sapiens (human)Potency60.1373AID1346978
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency61.1306AID743083
activating transcription factor 6Homo sapiens (human)Potency45.7918AID1159516; AID1159519
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_aHomo sapiens (human)Potency31.2926AID1159509
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency46.1500AID1159526; AID1159528
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1Homo sapiens (human)Potency8.9125AID894
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency59.8896AID743065; AID743067
heat shock protein beta-1Homo sapiens (human)Potency46.8010AID743210; AID743228
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency61.1306AID743202; AID743219
gemininHomo sapiens (human)Potency26.6086AID624296
DNA polymerase kappa isoform 1Homo sapiens (human)Potency26.6795AID588579
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency31.6228AID884; AID885
histone acetyltransferase KAT2A isoform 1Homo sapiens (human)Potency28.1838AID504327
lamin isoform A-delta10Homo sapiens (human)Potency0.1778AID1487
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency31.6228AID885
Cellular tumor antigen p53Homo sapiens (human)Potency68.2181AID651631; AID720552
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency31.6228AID885
Peroxisome proliferator-activated receptor alphaHomo sapiens (human)Potency36.4261AID651778
GABA theta subunitRattus norvegicus (Norway rat)Potency31.6228AID885
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency31.6228AID885

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Prostaglandin G/H synthase 1 Bos taurus (cattle)IC50170.0000AID360928
Sterol O-acyltransferase 1Rattus norvegicus (Norway rat)IC501,000.0000AID241990
TrypsinSus scrofa (pig)IC50200.0000AID402793
Fatty acid-binding protein, heartHomo sapiens (human)IC501.0000AID1192390; AID1192391; AID483948
Fatty acid-binding protein, heartHomo sapiens (human)Ki9.3000AID1312078
Seed linoleate 13S-lipoxygenase-1Glycine max (soybean)IC508.3333AID455078; AID455079; AID455080
Coagulation factor VIIHomo sapiens (human)IC5041.0000AID402795
AromataseHomo sapiens (human)IC5048.0000AID376617
Tissue factorHomo sapiens (human)IC5041.0000AID402795
Fatty acid-binding protein, adipocyteHomo sapiens (human)IC5010.7667AID1192389; AID483947; AID483950
Fatty acid-binding protein, adipocyteHomo sapiens (human)Ki6.8000AID1312065
Prostaglandin G/H synthase 1Homo sapiens (human)IC5013.0000AID403341
Adenosine receptor A1Rattus norvegicus (Norway rat)IC5065.0000AID380176
Tyrosine-protein phosphatase non-receptor type 7Homo sapiens (human)IC50100.0000AID630402
Sterol O-acyltransferase 1Homo sapiens (human)IC501,000.0000AID241602; AID241603
Aldo-keto reductase family 1 member C3Homo sapiens (human)IC500.6900AID1674107; AID1674108
Dual specificity protein phosphatase 3Homo sapiens (human)IC50100.0000AID630399
Prostaglandin G/H synthase 2Ovis aries (sheep)IC5094.0000AID360927
Fatty acid-binding protein 5Homo sapiens (human)Ki2.3000AID1802832

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Free fatty acid receptor 1Homo sapiens (human)EC502.1716AID1418782; AID1624318; AID371570; AID371573; AID371576
Nuclear receptor subfamily 4 group A member 2Homo sapiens (human)Kd50.0000AID1885200
Free fatty acid receptor 4Homo sapiens (human)EC500.3162AID1178768

Bioassays (189)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
ISSN: 1095-9203
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1346679Human K2P10.1 (Two P domain potassium channels)2000The Journal of biological chemistry, Sep-15, Volume: 275, Issue:37
ISSN: 0021-9258
Human TREK2, a 2P domain mechano-sensitive K+ channel with multiple regulations by polyunsaturated fatty acids, lysophospholipids, and Gs, Gi, and Gq protein-coupled receptors.
AID1346800Human Peroxisome proliferator-activated receptor-gamma (1C. Peroxisome proliferator-activated receptors)2004European journal of biochemistry, Jan, Volume: 271, Issue:2
ISSN: 0014-2956
Binding analyses between Human PPARgamma-LBD and ligands.
AID1346678Human Kv2.1 (Voltage-gated potassium channels)2001American journal of physiology. Cell physiology, Oct, Volume: 281, Issue:4
ISSN: 0363-6143
Linoleic acid both enhances activation and blocks Kv1.5 and Kv2.1 channels by two separate mechanisms.
AID1346729Human Hepatocyte nuclear factor-4-alpha (2A. Hepatocyte nuclear factor-4 receptors)2009PloS one, , Volume: 4, Issue:5
ISSN: 1932-6203
Identification of an endogenous ligand bound to a native orphan nuclear receptor.
AID1345809Human FFA1 receptor (Free fatty acid receptors)2003The Journal of biological chemistry, Mar-28, Volume: 278, Issue:13
ISSN: 0021-9258
The orphan G protein-coupled receptor GPR40 is activated by medium and long chain fatty acids.
AID1345809Human FFA1 receptor (Free fatty acid receptors)2003Nature, Mar-13, Volume: 422, Issue:6928
ISSN: 0028-0836
Free fatty acids regulate insulin secretion from pancreatic beta cells through GPR40.
AID1346800Human Peroxisome proliferator-activated receptor-gamma (1C. Peroxisome proliferator-activated receptors)2001European journal of pharmacology, Apr-06, Volume: 417, Issue:1-2
ISSN: 0014-2999
Binding of prostaglandins to human PPARgamma: tool assessment and new natural ligands.
AID1345188Human FFA4 receptor (Free fatty acid receptors)2006British journal of pharmacology, Jul, Volume: 148, Issue:5
ISSN: 0007-1188
Pharmacological regulation of insulin secretion in MIN6 cells through the fatty acid receptor GPR40: identification of agonist and antagonist small molecules.
AID1345809Human FFA1 receptor (Free fatty acid receptors)2003Biochemical and biophysical research communications, Feb-07, Volume: 301, Issue:2
ISSN: 0006-291X
A human cell surface receptor activated by free fatty acids and thiazolidinedione drugs.
AID1083120Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 2000 umol/L after 24 hr Rvb = 1.47 to 2.51%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID627878Inhibition of histidine-tagged human DNA polymerase gamma using bovine deoxyribonuclease 1-treated DNA and dNTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID376618Inhibition of aromatase in human SKBR3 cells at 100 uM relative to control2006Journal of natural products, Apr, Volume: 69, Issue:4
ISSN: 0163-3864
Interference by naturally occurring fatty acids in a noncellular enzyme-based aromatase bioassay.
AID483952Displacement of 8-anilino-1-naphthalene-sulfonic acid from human FABP4 F16A mutant expressed in Escherichia coli BL21 (DE3) cells at 500 uM after 3 mins2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID1082359Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1090873Antitermite activity against greater than third-instar stage of Coptotermes formosanus workers/1 soldier in compound-pretreated filter paper assessed as mortality at 0.5% at 26 degC after 6 days (Rvb = 2.5 +/-5%)2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1110763Nematocidal activity against Meloidogyne incognita (root-knot nematode)2002Annual review of phytopathology, , Volume: 40ISSN: 0066-4286Phytochemical based strategies for nematode control.
AID323929Cytotoxicity against human OR6 cells after 72 hrs2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID483948Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP3 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID402796Inhibition of amidolytic activity of human recombinant soluble tissue factor (Ala-TF 1 to 219)/human factor 7a1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1312078Displacement of 1,8-ANS from His6-tagged FABP3 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391
The discovery of novel and selective fatty acid binding protein 4 inhibitors by virtual screening and biological evaluation.
AID1090877Antifungal activity against Colletotrichum acutatum assessed as diameter of growth inhibitory zone at 10 ug after 4-5 days by direct bioautography2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1110759Nematocidal activity against Caenorhabditis elegans assessed as mortality2002Annual review of phytopathology, , Volume: 40ISSN: 0066-4286Phytochemical based strategies for nematode control.
AID483946Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells at 100 uM after 3 mins2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID1083135Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 3 (SDW control = 0.57 +/- 0.37%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID423136Binding affinity to Vibrio cholerae cholera toxin assessed as inhibition of cholera toxin binding to ganglioside GM1 receptor relative to ganglioside GM1 receptor antagonist m-nitrophenyl-alpha-galactosidase2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID241990Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acyltransferase2004Bioorganic & medicinal chemistry letters, Aug-16, Volume: 14, Issue:16
ISSN: 0960-894X
Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas.
AID1083124Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 100 umol/L after 24 hr (Rvb = 1.47 to 2.51%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID371576Agonist activity at human GPR40 expressed in CHOK1 cells by fluorescence assay2008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3405
Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.
AID483951Displacement of 8-anilino-1-naphthalene-sulfonic acid from human FABP4 F16A mutant expressed in Escherichia coli BL21 (DE3) cells after 3 mins2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID402798Inhibition of amidolytic activity of human recombinant soluble tissue factor/human factor 7a preincubated with factor 7a for 90 mins1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1192390Inhibition of FABP4 (unknown origin) relative to linoleic acid2015European journal of medicinal chemistry, Jan-27, Volume: 90ISSN: 1768-3254Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
AID642414Estrogenic activity at ERalpha in human MVLN cells at 100 ug/mL after 24 hrs by luciferase reporter gene assay relative to E22012Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1
ISSN: 1464-3405
Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID1090889Phytotoxic activity against Lactuca sativa (lettuce) seeds assessed as inhibition of germination at 100 uM at 26 degC measured 7 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID402794Octanol-water partition coefficient, log P of the compound1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID642415Estrogenic activity at ERalpha in human MVLN cells at 20 ug/mL after 24 hrs by luciferase reporter gene assay relative to E22012Bioorganic & medicinal chemistry letters, Jan-01, Volume: 22, Issue:1
ISSN: 1464-3405
Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.
AID323924Antiviral activity against HCV assessed as suppression of HCV RNA replication in ORN/C-5B/KE/poly cells after 72 hrs by luciferase reporter assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID323930Antiviral activity against HCV assessed as inhibition of HCV RNA replication in OR6 cells by luciferase reporter assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID1082346Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 5% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1082351Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID330320Inhibition of hepatitis C virus replication in Huh7-K2040 cells in presence of fetal calf serum assessed viral RNA level at 0.1 mM by RT-PCR relative to control2007Proceedings of the National Academy of Sciences of the United States of America, Nov-20, Volume: 104, Issue:47
ISSN: 1091-6490
Inhibition of hepatitis C virus replication by peroxidation of arachidonate and restoration by vitamin E.
AID1083132Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 7 (SDW control = 12.63 +/- 3.84%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID323932Cytotoxicity against human OR6 cells after 120 hrs2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID627976Cytotoxicity against human HCT116 cells by WST-1 assay2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID423126Binding affinity to Vibrio cholerae cholera toxin assessed as inhibition of cholera toxin binding to ganglioside GM1 receptor treated 15 mins before receptor addition by ELISA2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID483949Selectivity index, ratio of IC50 for His-human FABP3 to IC50 for human His-FABP42010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID1082344Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID627875Inhibition of histidine-tagged human DNA polymerase gamma using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID288712Agonist activity at GPR40 in mouse MIN6 cells assessed as stimulation of 25 mM glucose-mediated insulin secretion at 30 uM2007Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12
ISSN: 0022-2623
Synthesis and biological evaluation of 3-aryl-3-(4-phenoxy)-propionic acid as a novel series of G protein-coupled receptor 40 agonists.
AID630398Inhibition of GST-tagged human SHP2 N-terminal SH2 domain deficient mutant PTP activity using pNpp as substrate after 30 mins2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
ISSN: 1464-3405
Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2.
AID627980Cytotoxicity against mouse RAW264.7 cells at 5 uM2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID455078Competitive inhibition of soybean LO12009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
ISSN: 1464-3391
Substrate specificity effects of lipoxygenase products and inhibitors on soybean lipoxygenase-1.
AID371574Agonist activity at human GPR40 expressed in CHOK1 cells assessed as fold increase in calcium flux at 10 uM by fluorescence assay relative to control2008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3405
Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.
AID1090870Antitermite activity against greater than third-instar stage of Coptotermes formosanus workers/1 soldier in compound-pretreated filter paper assessed as filter paper consumption at 0.5% at 26 degC after 21 days (Rvb = 41.4 +/-5.6 mg)2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID402800Inhibition of amidolytic activity of human recombinant soluble tissue factor/human factor 7a preincubated with tissue factor for 90 mins1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID371575Agonist activity at human GPR40 expressed in CHOK1 cells assessed as effect on calcium flux at 10 uM by fluorescence assay2008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3405
Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.
AID627876Inhibition of C-terminal His6-tagged human DNA polymerase kappa (amino acids 1 to 560) using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID483954Selectivity ratio of IC50 for human FABP4 F106A mutant to IC50 for human wild type FABP42010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID658580Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of rifampicin-mediated antibacterial activity measuring ratio of rifampicin MIC to rifampicin and compound MIC at 2 mg/L after 72 hrs by MTT assay2012Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8
ISSN: 1464-3391
Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID483947Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID627877Inhibition of calf DNA polymerase alpha using bovine deoxyribonuclease 1-treated DNA and dNTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID627981Cytotoxicity against mouse RAW264.7 cells2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID627879Inhibition of C-terminal His6-tagged human DNA polymerase kappa (amino acids 1 to 560) using bovine deoxyribonuclease 1-treated DNA and dNTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID658437Antibacterial activity against Mycobacterium smegmatis mc2 155 after 72 hrs by MTT assay2012Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8
ISSN: 1464-3391
Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID423133Inhibition of intestinal fluid accumulation in rabbit ligated ileal loop model at 3.3 mM injected in presence of cholera toxin after 16 hrs2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID40631Inhibitory activity on germination of Bacillus subtilis PCI219 spores was determined at 2 x 10E-4 M1982Journal of medicinal chemistry, Mar, Volume: 25, Issue:3
ISSN: 0022-2623
Quantitative structure-inhibitory activity relationships of phenols and fatty acids for Bacillus subtilis spore germination.
AID1192391Inhibition of FABP3 (unknown origin) relative to linoleic acid2015European journal of medicinal chemistry, Jan-27, Volume: 90ISSN: 1768-3254Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
AID1624318Agonist activity at human FFA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based assay2019Bioorganic & medicinal chemistry letters, 03-15, Volume: 29, Issue:6
ISSN: 1464-3405
Synthesis and biological evaluation of novel potent FFA1 agonists containing 2,3-dihydrobenzo[b][1,4]dioxine.
AID627982Antiinflammatory activity in mouse assessed as inhibition of TPA-induced mouse ear edema at 500 ug/ear administered 30 mins before TPA challenge measured after 7 hrs relative to untreated control2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID1750101Induction of GLP-1 secretion in human STC1 cells at 100 uM after 1 hrs by ELISA2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
ISSN: 1520-4804
AID323923Cytotoxicity against human OR6 cells after 120 hrs by cell viability assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID455080Allosteric inhibition of soybean LO12009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
ISSN: 1464-3391
Substrate specificity effects of lipoxygenase products and inhibitors on soybean lipoxygenase-1.
AID1082341Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID402795Inhibition of amidolytic activity of human tissue factor/human factor 7a1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1082342Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID241603Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 22004Bioorganic & medicinal chemistry letters, Aug-16, Volume: 14, Issue:16
ISSN: 0960-894X
Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas.
AID627979Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced TNFalpha secretion at 5 uM treated 30 mins before LPS challenge measured after 24 hrs by ELISA2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID1338209Inhibition of Staphylococcus aureus FabI using t-o-NAC-thioester as substrate by spectrophometric method2017European journal of medicinal chemistry, Jan-05, Volume: 125ISSN: 1768-3254Antitubercular activity of 1,2,3-triazolyl fatty acid derivatives.
AID1090894Phytotoxic activity against Agrostis stolonifera seeds assessed as inhibition of germination at 10 uM at 26 degC measured 12 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID360929Selectivity ratio for IC50 for sheep COX2 to IC50 for bovine COX22001Journal of natural products, Jun, Volume: 64, Issue:6
ISSN: 0163-3864
Cox-2 inhibitory effects of naturally occurring and modified fatty acids.
AID423128Effect of quaternary structure of Vibrio cholerae cholera toxin by PAGE2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID380180Displacement of [3H]DPCPX from rat adenosine A1 receptor at 0.1 mM by liquid scintillation counting1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID630399Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
ISSN: 1464-3405
Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2.
AID1616997Antiallergic activity in rat RBL2H3 cells assessed as inhibition of DNP-HSA-mediated degranulation by measuring decrease in beta-hexosaminidase activity preincubated for 30 mins followed by DNP-HSA stimulation and measured after 30 mins by 4-nitrophenyl 22019Journal of medicinal chemistry, 11-14, Volume: 62, Issue:21
ISSN: 1520-4804
Structure-Activity Relationships of Fish Oil Derivatives with Antiallergic Activity in Vitro and in Vivo.
AID227699Virtual screen for compounds with anticonvulsant activity2003Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16
ISSN: 0960-894X
Topological virtual screening: a way to find new anticonvulsant drugs from chemical diversity.
AID1090876Antifungal activity against Colletotrichum fragariae assessed as growth inhibition at 10 ug after 4-5 days by direct bioautography2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1083128Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 21 (SDW control = 44.87 +/- 3.93%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID423137Binding affinity to enterotoxigenic Escherichia coli 12566 heat-labile enterotoxin assessed as inhibition of heat-labile enterotoxin binding to ganglioside GM1 receptor2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID1083125Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 100 umol/L after 12 hr (Rvb = 1.79 to 3.30%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID380183Displacement of [3H]DPCPX from rat adenosine A1 receptor at 10 uM by liquid scintillation counting1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID1083136Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 3 (SDW control = 0.57 +/- 0.37%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1090872Antitermite activity against greater than third-instar stage of Coptotermes formosanus workers/1 soldier in compound-pretreated filter paper assessed as mortality at 0.5% at 26 degC after 13 days (Rvb = 3.8 +/-4.8%)2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID402799Inhibition of amidolytic activity of human recombinant soluble tissue factor/human factor 7a preincubated with tissue factor for 15 mins1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1083134Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 7 (SDW control = 12.63 +/- 3.84%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1090891Phytotoxic activity against Agrostis stolonifera seeds assessed as inhibition of germination at 1 uM at 26 degC measured 12 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1083130Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1090887Phytotoxic activity against Lactuca sativa (lettuce) seeds assessed as inhibition of germination at 1 uM at 26 degC measured 7 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1083122Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 1000 umol/L after 24 hr Rvb = 1.47 to 2.51%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1076682Antinociceptive activity in CD-1 mouse assessed as inhibition of acetic acid-induced writhing at 10 mg/kg, sc administered 15 mins before acetic acid challenge measured after 20 mins2014European journal of medicinal chemistry, Mar-21, Volume: 75ISSN: 1768-3254Synthesis and structure-activity relationship study of substituted caffeate esters as antinociceptive agents modulating the TREK-1 channel.
AID492140Antioxidant activity assessed as formazan formation induced absorbance changes at 25 ppm at 570 nm at 37 degC for 6 hrs by MTT assay2010Journal of natural products, Jul-23, Volume: 73, Issue:7
ISSN: 1520-6025
An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds.
AID380179Displacement of [3H]nitrobenzylthiosine from nucleoside transport protein in calf lung membrane at 1 mM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID380181Displacement of [3H]naloxone from rat opioid receptor at 0.1 mM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID1082337Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID323931Antiviral activity against HCV assessed as inhibition of HCV RNA replication in OR6 cells at 50 uM after 120 hrs by luciferase reporter assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID380186Displacement of [3H]DPCPX from rat brain adenosine A1 receptor at 56 uM assessed per mg of protein by saturation analysis1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID402793Inhibition of pig pancreatic trypsin after 15 mins1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1674108Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using S-tetralol as substrate2020Journal of medicinal chemistry, 10-22, Volume: 63, Issue:20
ISSN: 1520-4804
Overview of AKR1C3: Inhibitor Achievements and Disease Insights.
AID1624319Agonist activity at human FFA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ flux by Fluo-4 dye based assay relative to linoleic acid2019Bioorganic & medicinal chemistry letters, 03-15, Volume: 29, Issue:6
ISSN: 1464-3405
Synthesis and biological evaluation of novel potent FFA1 agonists containing 2,3-dihydrobenzo[b][1,4]dioxine.
AID288713Agonist activity at GPR40 in mouse MIN6 cells assessed as stimulation of 5 mM glucose-mediated insulin secretion at 30 uM2007Journal of medicinal chemistry, Jun-14, Volume: 50, Issue:12
ISSN: 0022-2623
Synthesis and biological evaluation of 3-aryl-3-(4-phenoxy)-propionic acid as a novel series of G protein-coupled receptor 40 agonists.
AID380185Displacement of [3H]nitrobenzylthiosine from nucleoside transport protein in calf lung membrane at 10 uM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID371573Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux by FLIPR assay2008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3405
Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.
AID145834Effect on Torpedo nicotinic ACh receptor responses at 0 min determined by measuring percentage of original amplitude2003Bioorganic & medicinal chemistry letters, Mar-24, Volume: 13, Issue:6
ISSN: 0960-894X
The newly synthesized linoleic acid derivative FR236924 induces a long-lasting facilitation of hippocampal neurotransmission by targeting nicotinic acetylcholine receptors.
AID1083126Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 21 (SDW control = 44.87 +/- 3.93%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID423130Binding affinity to Vibrio cholerae cholera toxin assessed as decrease in fluorescence intensity by fluorescence emission spectroscopy2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID1082339Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 2% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID483950Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID1090875Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 10 ug after 4-5 days by direct bioautography2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID628060Inhibition of recombinant His-tagged human DNA polymerase lambda using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID1509163Displacement of 3[H]retinol from human biotinylated RBP4 after overnight incubation by surface plasmon resonance analysis2019Journal of medicinal chemistry, 06-13, Volume: 62, Issue:11
ISSN: 1520-4804
Design, Synthesis, and Preclinical Efficacy of Novel Nonretinoid Antagonists of Retinol-Binding Protein 4 in the Mouse Model of Hepatic Steatosis.
AID402797Inhibition of amidolytic activity of human recombinant soluble tissue factor/human factor 7a preincubated with factor 7a for 15 mins1998Journal of natural products, Nov, Volume: 61, Issue:11
ISSN: 0163-3864
Inhibitory activity of unsaturated fatty acids and anacardic acids toward soluble tissue factor-factor VIIa complex.
AID1083121Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 2000 umol/L after 12 hr (Rvb = 1.79 to 3.30%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID424805Agonist activity at human PPARgamma ligand binding domain expressed in MEF cells co-transfected with Gal4-responsive luciferase vector assessed as photinus/renilla luciferase activity at 40 uM by transactivation assay relative to control2009Journal of natural products, May-22, Volume: 72, Issue:5
ISSN: 1520-6025
Activation of PPARgamma by metabolites from the flowers of purple coneflower (Echinacea purpurea).
AID376617Inhibition of aromatase in human placental microsomes by radiometric method2006Journal of natural products, Apr, Volume: 69, Issue:4
ISSN: 0163-3864
Interference by naturally occurring fatty acids in a noncellular enzyme-based aromatase bioassay.
AID1083127Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 21 (SDW control = 44.87 +/- 3.93%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID360927Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid2001Journal of natural products, Jun, Volume: 64, Issue:6
ISSN: 0163-3864
Cox-2 inhibitory effects of naturally occurring and modified fatty acids.
AID1083137Nematicidal activity against Meloidogyne incognita (root-knot nematode) root-knot nematodes assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 3 (SDW control = 0.57 +/- 0.37%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID409935Activity of soybean lipoxygenase 12008Bioorganic & medicinal chemistry letters, Nov-15, Volume: 18, Issue:22
ISSN: 1464-3405
Kinetic isotope effects in the oxidation of arachidonic acid by soybean lipoxygenase-1.
AID380178Displacement of [3H]naloxone from rat opioid receptor at 1 mM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID1083131Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 100 umol/L on day 14 (SDW control = 35.77 +/- 4.48%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1082349Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID403341Inhibition of COX12005Journal of natural products, Jul, Volume: 68, Issue:7
ISSN: 0163-3864
Expanding the ChemGPS chemical space with natural products.
AID1083133Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 1000 umol/L on day 7 (SDW control = 12.63 +/- 3.84%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1178768Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as calcium mobilization after 24 hrs by FLIPR2014Bioorganic & medicinal chemistry letters, Jul-15, Volume: 24, Issue:14
ISSN: 1464-3405
Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120).
AID1082350Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID423127Blockade of anti-CT antibody binding site of Vibrio cholerae cholera toxin preincubated for 15 mins before addition of anti-CT immunoglobulin G by immunoprecipitation-based SDS-PAGE2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID1082357Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under light conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1090871Antitermite activity against greater than third-instar stage of Coptotermes formosanus workers/1 soldier in compound-pretreated filter paper assessed as mortality at 0.5% at 26 degC after 21 days (Rvb = 3.8 +/-4.8%)2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID423129Binding affinity to Vibrio cholerae cholera toxin assessed as apparent isoelectric point at 100 mM by isoelectric focusing analysis (isoelectric point Rvb=6.8)2008Antimicrobial agents and chemotherapy, Jan, Volume: 52, Issue:1
ISSN: 0066-4804
Bile and unsaturated fatty acids inhibit the binding of cholera toxin and Escherichia coli heat-labile enterotoxin to GM1 receptor.
AID455079Mixed-type inhibition of soybean LO12009Bioorganic & medicinal chemistry, Sep-15, Volume: 17, Issue:18
ISSN: 1464-3391
Substrate specificity effects of lipoxygenase products and inhibitors on soybean lipoxygenase-1.
AID1090874Antitermite activity against greater than third-instar stage of Coptotermes formosanus workers/1 soldier in compound-pretreated filter paper assessed as mortality at 0.5% at 26 degC after 1 day (Rvb = 0%)2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1178769Agonist activity at human FFA4 receptor expressed in U2OS cells assessed as maximal calcium mobilization after 24 hrs by FLIPR relative to GSK137647A2014Bioorganic & medicinal chemistry letters, Jul-15, Volume: 24, Issue:14
ISSN: 1464-3405
Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120).
AID1885200Binding affinity towards Nurr1 ligand binding domain (unknown origin) measured by tryptophan fluorescence spectroscopy2022Journal of medicinal chemistry, 07-28, Volume: 65, Issue:14
ISSN: 1520-4804
Medicinal Chemistry and Chemical Biology of Nurr1 Modulators: An Emerging Strategy in Neurodegeneration.
AID1090888Phytotoxic activity against Lactuca sativa (lettuce) seeds assessed as inhibition of germination at 1000 uM at 26 degC measured 7 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID145835Effect on Torpedo nicotinic ACh receptor responses at 10 min determined by measuring percentage of original amplitude2003Bioorganic & medicinal chemistry letters, Mar-24, Volume: 13, Issue:6
ISSN: 0960-894X
The newly synthesized linoleic acid derivative FR236924 induces a long-lasting facilitation of hippocampal neurotransmission by targeting nicotinic acetylcholine receptors.
AID1082335Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.125% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1192388Inhibition of FABP4 (unknown origin) at 100 uM2015European journal of medicinal chemistry, Jan-27, Volume: 90ISSN: 1768-3254Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
AID1082338Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1090890Phytotoxic activity against Lactuca sativa (lettuce) seeds assessed as inhibition of germination at 10 uM at 26 degC measured 7 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID1082358Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under light conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1082343Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.5% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1312065Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391
The discovery of novel and selective fatty acid binding protein 4 inhibitors by virtual screening and biological evaluation.
AID1082352Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under dark conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID658578Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of EtBr-mediated antibacterial activity measuring ratio of EtBr MIC to EtBr and compound MIC at 2 mg/L after 72 hrs by MTT assay2012Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8
ISSN: 1464-3391
Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID323925Antiviral activity against HCV assessed as suppression of HCV RNA replication in ORN/3-5B/KE/poly cells after 72 hrs by luciferase reporter assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID1674107Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells using 9,10-phenanthrenequinone as substrate2020Journal of medicinal chemistry, 10-22, Volume: 63, Issue:20
ISSN: 1520-4804
Overview of AKR1C3: Inhibitor Achievements and Disease Insights.
AID1082345Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 2% under light conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1090893Phytotoxic activity against Agrostis stolonifera seeds assessed as inhibition of germination at 100 uM at 26 degC measured 12 days post-drug dose2007Journal of agricultural and food chemistry, Dec-26, Volume: 55, Issue:26
ISSN: 0021-8561
Phytotoxic Eremophilanes from Ligularia macrophylla.
AID483953Displacement of 8-anilino-1-naphthalene-sulfonic acid from human FABP4 F16A mutant expressed in Escherichia coli BL21 (DE3) cells at 700 uM after 3 mins2010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID630402Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins2011Bioorganic & medicinal chemistry letters, Nov-15, Volume: 21, Issue:22
ISSN: 1464-3405
Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2.
AID1083129Nematicidal activity against Meloidogyne incognita (root-knot nematode) assessed as cumulative percentage of egg hatching at 25 degC at 2000 umol/L on day 14 (SDW control = 35.77 +/- 4.48%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID1192392Selectivity ratio of IC50 for FABP3 (unknown origin) to IC50 for FABP4 (unknown origin)2015European journal of medicinal chemistry, Jan-27, Volume: 90ISSN: 1768-3254Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
AID627880Inhibition of recombinant His-tagged human DNA polymerase lambda using bovine deoxyribonuclease 1-treated DNA and dNTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID3081Ratio of proximal to distal region oxidation by 1-lipoxygenase isolated from soybean; Ratio of proximal and distal was 97:31999Bioorganic & medicinal chemistry letters, Jan-04, Volume: 9, Issue:1
ISSN: 0960-894X
New minimal substrate structural requirements in the enzymatic peroxidation of alkenes with soybean lipoxygenase.
AID241602Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 12004Bioorganic & medicinal chemistry letters, Aug-16, Volume: 14, Issue:16
ISSN: 0960-894X
Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas.
AID627874Inhibition of calf DNA polymerase alpha using poly(dA)/oligo(dT)18 (A/T = 2/1) and dTTP as the DNA template-primer and nucleotide substrate at 10 uM after 60 mins2011Bioorganic & medicinal chemistry, Oct-01, Volume: 19, Issue:19
ISSN: 1464-3391
Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.
AID1418782Agonist activity at human GPR40 expressed in human HEK293 cells assessed as increase in intracellular calcium flux after 10 mins by fluorescence assay2018Bioorganic & medicinal chemistry, 12-01, Volume: 26, Issue:22
ISSN: 1464-3391
Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles.
AID323922Antiviral activity against HCV assessed as inhibition of HCV RNA replication in OR6 cells after 72 hrs by luciferase reporter assay2007Antimicrobial agents and chemotherapy, Jun, Volume: 51, Issue:6
ISSN: 0066-4804
Comprehensive analysis of the effects of ordinary nutrients on hepatitis C virus RNA replication in cell culture.
AID1312066Binding affinity to His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells assessed as change in melting temperature at 50 uM after 30 mins by SYPRO orange dye based thermal stability shift assay2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391
The discovery of novel and selective fatty acid binding protein 4 inhibitors by virtual screening and biological evaluation.
AID380182Displacement of [3H]nitrobenzylthiosine from nucleoside transport protein in calf lung membrane at 0.1 mM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID1083123Nematicidal activity against second-stage juvenile of Meloidogyne incognita (root-knot nematode) assessed as mortality at 25 degC at 1000 umol/L after 12 hr (Rvb = 1.79 to 3.30%)2012Journal of agricultural and food chemistry, Nov-21, Volume: 60, Issue:46
ISSN: 1520-5118
Potential antagonistic effects of nine natural fatty acids against Meloidogyne incognita.
AID380176Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID1229245Induction of somatostatin (ss-14) secretion in human pancreatic islets at 100 uM incubated for 60 mins in presence of 2 mM and 16 mM glucose2015ACS medicinal chemistry letters, May-14, Volume: 6, Issue:5
ISSN: 1948-5875
Discovery of MK-1421, a Potent, Selective sstr3 Antagonist, as a Development Candidate for Type 2 Diabetes.
AID483955Selectivity ratio of IC50 for human FABP4 F126A mutant to IC50 for human wild type FABP42010Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12
ISSN: 1464-3405
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
AID1058850Critical micelle concentration of the compound in 0.1 M sodiumborate buffer at pH 10 at 23 degC2013Bioorganic & medicinal chemistry, Dec-15, Volume: 21, Issue:24
ISSN: 1464-3391
Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection.
AID1082336Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 0.25% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID376615Inhibition of aromatase in human placental microsomes at 20 ug/ml by radiometric method relative to control2006Journal of natural products, Apr, Volume: 69, Issue:4
ISSN: 0163-3864
Interference by naturally occurring fatty acids in a noncellular enzyme-based aromatase bioassay.
AID371570Agonist activity at GPR402008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
ISSN: 1464-3405
Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.
AID1082360Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 1% under light conditions measured 24 hr post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1082340Nematicidal activity against Heterodera zeae infective stage larvae assessed as nematode mortality at 5% under dark conditions measured 5 to 60 min post dose by stereoscopic microscopy2011Journal of agricultural and food chemistry, Sep-14, Volume: 59, Issue:17
ISSN: 1520-5118
Isolation of nematicidal compounds from Tagetes patula L. yellow flowers: structure-activity relationship studies against cyst nematode Heterodera zeae infective stage larvae.
AID1192389Inhibition of FABP4 (unknown origin)2015European journal of medicinal chemistry, Jan-27, Volume: 90ISSN: 1768-3254Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination.
AID380184Displacement of [3H]naloxone from rat opioid receptor at 10 uM1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID380177Displacement of [3H]DPCPX from rat adenosine A1 receptor at 1 mM by liquid scintillation counting1999Journal of natural products, Jun, Volume: 62, Issue:6
ISSN: 0163-3864
Interference of linoleic acid fraction in some receptor binding assays.
AID360928Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid2001Journal of natural products, Jun, Volume: 64, Issue:6
ISSN: 0163-3864
Cox-2 inhibitory effects of naturally occurring and modified fatty acids.
AID658579Inhibition of Multidrug resistance efflux pump in Mycobacterium smegmatis mc2 155 assessed as modulation of isoniazid-mediated antibacterial activity measuring ratio of isoniazid MIC to isoniazid and compound MIC at 2 mg/L after 72 hrs by MTT assay2012Bioorganic & medicinal chemistry, Apr-15, Volume: 20, Issue:8
ISSN: 1464-3391
Compounds of Alpinia katsumadai as potential efflux inhibitors in Mycobacterium smegmatis.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1802832Ligand Binding Assay from Article 10.1074/jbc.M113.514646: \\Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor u00DF/d (FABP5-PPARu00DF/d) signaling pathway.\\2014The Journal of biological chemistry, May-23, Volume: 289, Issue:21
ISSN: 1083-351X
Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor β/δ (FABP5-PPARβ/δ) signaling pathway.

Research

Studies (6,609)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901139 (17.23)18.7374
1990's1398 (21.15)18.2507
2000's1890 (28.60)29.6817
2010's1595 (24.13)24.3611
2020's587 (8.88)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials314 (4.57%)5.53%
Reviews335 (4.87%)6.00%
Case Studies23 (0.33%)4.05%
Observational11 (0.16%)0.25%
Other6,195 (90.07%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
10-nitro-9,12-octadecadienoic acidnitro fatty acid;
octadecadienoic acid
00low000000
9-hydroperoxy-11,12-octadecadienoic acidhydroperoxy polyunsaturated fatty acid;
octadecadienoic acid
00low000000
9-hydroxy-10,12-octadecadienoic acidHODE;
octadecadienoic acid
human metabolite;
metabolite;
mouse metabolite;
plant metabolite
00low000000
13-hydroxy-9,11-octadecadienoic acidoctadecadienoic acid00low000000
13-hydroperoxy-9,11-octadecadienoic acidhydroperoxy polyunsaturated fatty acid;
octadecadienoic acid
00low000000
arachidonic acidicosa-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
1947202325.8low3923433420517732
gamma-linolenic acidlinolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
1965202325.9medium15324723194
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
2,3-dihydroxybenzoic aciddihydroxybenzoic acidhuman xenobiotic metabolite;
plant metabolite
00low000000
tartronic aciddicarboxylic acid;
dicarboxylic fatty acid
plant metabolite00low000000
protocatechuic acidcatechols;
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
00low000000
3-phenylpropionic acidbenzenes;
monocarboxylic acid
antifungal agent;
human metabolite;
plant metabolite
00low000000
4-hydroxybenzyl alcoholbenzyl alcohols;
phenols
plant metabolite00low000000
4-hydroxybenzaldehydehydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
00low000000
4-hydroxyphenylacetic acidmonocarboxylic acid;
phenols
fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
00low000000
4-hydroxybenzoic acidmonohydroxybenzoic acidalgal metabolite;
plant metabolite
00low000000
aminolevulinic acid4-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
202220222.0low000001
allantoic acidureasmouse metabolite;
plant metabolite
00low000000
benzaldehydebenzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
00low000000
benzoic acidbenzoic acidsalgal 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
201520159.0low000010
betaine aldehydequaternary ammonium ionAspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
00low000000
cadaverinealkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
00low000000
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
00low000000
cholinecholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
1963202033.8low061030
coumarincoumarinsfluorescent dye;
human metabolite;
plant metabolite
00low000000
cuminolbenzyl alcohols;
p-menthane monoterpenoid
fragrance;
insect repellent;
plant metabolite;
volatile oil component;
xenobiotic metabolite
00low000000
cuminaldehydebenzaldehydesinsecticide;
plant metabolite;
volatile oil component
00low000000
4-vinylguaiacolphenolsflavouring agent;
pheromone;
plant metabolite
00low000000
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
1982202215.6low111331
4-methylumbelliferyl acetateacetate ester;
coumarins
plant metabolite00low000000
gallic acidtrihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
2002202013.2low000680
indoleacetamideindoles;
monocarboxylic acid amide;
N-acylammonia
bacterial metabolite;
fungal metabolite;
plant metabolite
00low000000
caprylic aldehydemedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
plant metabolite00low000000
n(1)-methylnicotinamidepyridinium ionalgal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
guaiacolguaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
202220222.0low000001
1-aminocyclopropane-1-carboxylic acidamino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid
ethylene releasers;
plant metabolite
00low000000
3,4-dihydrocoumarinchromanoneplant metabolite00low000000
homogentisic aciddihydroxyphenylacetic acid;
hydroquinones
human metabolite;
plant metabolite
00low000000
indoleacetic acidindole-3-acetic acids;
monocarboxylic acid
auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
00low000000
indol-3-yl pyruvic acid2-oxo monocarboxylic acid;
indol-3-yl carboxylic acid
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
melilotic acidmonocarboxylic acid;
phenols
bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
00low000000
racemethioninealpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid
algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
n-methylphenylethanolaminealkaloid;
phenylethanolamines
human metabolite;
plant metabolite
00low000000
naphthalenenaphthalenes;
ortho-fused bicyclic arene
apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
00low000000
niacinpyridine 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
1963201434.8low043120
1-octanoloctanol;
primary alcohol
antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
00low000000
oxalic acidalpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
00low000000
4-aminobenzoic acidaminobenzoic acid;
aromatic amino-acid zwitterion
allergen;
Escherichia coli metabolite;
plant metabolite
1963196361.0low010000
palmitic acidlong-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
1962202327.7low1414012110812015
phenylacetic acidbenzenes;
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
00low000000
prephenic acidoxo dicarboxylic acidEscherichia coli metabolite;
plant metabolite
00low000000
pyridoxamineaminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6
Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
2003200321.0low000100
pyrogallolbenzenetriol;
phenolic donor
plant metabolite1994200126.5low001100
tryptamineaminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines
human metabolite;
mouse metabolite;
plant metabolite
00low000000
vanillinbenzaldehydes;
monomethoxybenzene;
phenols
anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
2007200717.0low000100
aminopropionitrileaminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
1991199133.0low001000
meglutol3-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol
anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
00low000000
methylbufoteninaromatic ether;
tertiary amino compound;
tryptamine alkaloid
hallucinogen;
plant metabolite
00low000000
7,8-dihydroxyflavonedihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
00low000000
anabasinepiperidine alkaloid;
pyridine alkaloid
nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent
00low000000
acetovanilloneacetophenones;
aromatic ketone;
methyl ketone
antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
00low000000
azelaic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
00low000000
benzyl benzoatebenzoate ester;
benzyl ester
acaricide;
plant metabolite;
scabicide
00low000000
5-methoxypsoralen5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens
hepatoprotective agent;
plant metabolite
00low000000
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-onearomatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol
allelochemical;
plant metabolite
00low000000
caffeic acidcatechols;
hydroxycinnamic acid
antioxidant;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
00low000000
caffeinepurine 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
1994200821.0low001200
beta-glycerophosphoric acidglycerol monophosphateEscherichia coli metabolite;
plant metabolite
00low000000
camphor, (+-)-isomerbornane monoterpenoid;
cyclic monoterpene ketone
plant metabolite00low000000
cetyl alcoholhexadecanol;
long-chain primary fatty alcohol
algal metabolite;
flavouring agent;
human metabolite;
plant metabolite
00low000000
chrysanthemic acidcyclopropanes;
monocarboxylic acid
plant metabolite00low000000
colchicine, (+-)-isomeracetamides;
alkaloid;
aromatic ether;
carbotricyclic compound
microtubule-destabilising agent;
plant metabolite
00low000000
danthrondihydroxyanthraquinoneapoptosis inducer;
plant metabolite
00low000000
decanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
00low000000
benzophenonebenzophenonesphotosensitizing agent;
plant metabolite
00low000000
ellipticineindole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene
antineoplastic agent;
plant metabolite
00low000000
embelindihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
00low000000
emodintrihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
2002200222.0low000100
guvacinealpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine
GABA reuptake inhibitor;
plant metabolite
00low000000
beta-thujaplicincyclic ketone;
enol;
monoterpenoid
antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
00low000000
indole-3-carbinolindolyl alcoholantineoplastic agent;
plant metabolite
00low000000
indolepropionic acidindol-3-yl carboxylic acidauxin;
human metabolite;
plant metabolite
00low000000
beta-lapachonebenzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
00low000000
lauric acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
00low000000
methoxsalenaromatic ether;
psoralens
antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
00low000000
masoprocolcatechols;
lignan;
tetrol
antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
00low000000
phloretindihydrochalconesantineoplastic agent;
plant metabolite
00low000000
4-aminobenzoic acidaminobenzoate;
aromatic amino-acid anion
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
protopinedibenzazecine alkaloidplant metabolite00low000000
safrolebenzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
2011201113.0low000010
sebacic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
human metabolite;
plant metabolite
00low000000
stearic acidlong-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
00low000000
sulforaphaneisothiocyanate;
sulfoxide
antineoplastic agent;
antioxidant;
EC 3.5.1.98 (histone deacetylase) inhibitor;
plant metabolite
00low000000
theobrominedimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
00low000000
triacetintriglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
00low000000
trigonellinealkaloid;
iminium betaine
food component;
human urinary metabolite;
plant metabolite
00low000000
undecylenic acidundecenoic acidantifungal drug;
plant metabolite
00low000000
reserpinealkaloid 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
00low000000
hydroxyproline4-hydroxyproline;
L-alpha-amino acid zwitterion
human metabolite;
mouse metabolite;
plant metabolite
1991199133.0low001000
dipropylenetriamepolyazaalkanealgal metabolite;
plant metabolite
00low000000
lysineaspartate 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
1964202323.6low033512
vincristineacetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid
antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
00low000000
levodopaamino 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
1994201818.0low001010
phenylethyl alcoholbenzenes;
primary alcohol
Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
1993201614.9low001240
phlorhizinaryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative
antioxidant;
plant metabolite
00low000000
leucineamino 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
1987201222.5low022520
phenylalanineamino 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
1992202314.4low303443
ficusinpsoralensplant metabolite00low000000
asparagineamino 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
00low000000
n-pentanolpentanol;
short-chain primary fatty alcohol
human metabolite;
plant metabolite
1999199925.0low001000
threonineamino 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
1964202217.5low010012
alizarindihydroxyanthraquinonechromophore;
dye;
plant metabolite
00low000000
tryptophanerythrose 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
1990202316.9low007343
isoleucineaspartate 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
1964202217.0low010131
ethanealkane;
gas molecular entity
plant metabolite;
refrigerant
1989198935.0low010000
gibberellic acidC19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound
mouse metabolite;
plant metabolite
00low000000
isophoronecyclic ketone;
enone
plant metabolite;
solvent
00low000000
linaloolmonoterpenoid;
tertiary alcohol
antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
00low000000
isoprenealkadiene;
hemiterpene;
volatile organic compound
plant metabolite00low000000
isobutylaminealkylaminesplant metabolite00low000000
isobutyric acidbranched-chain saturated fatty acid;
fatty acid 4:0;
methyl-branched fatty acid
Daphnia magna metabolite;
plant metabolite;
volatile oil component
00low000000
camphenecarbobicyclic compound;
monoterpene
fragrance;
plant metabolite
00low000000
alpha-pinenepineneplant metabolite00low000000
purpurintrihydroxyanthraquinonebiological pigment;
histological dye;
plant metabolite
00low000000
visnaginaromatic ether;
furanochromone;
polyketide
anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
00low000000
2,6-dihydroxyanthraquinonedihydroxyanthraquinoneantimutagen;
plant metabolite
00low000000
methyl n-methylanthranilatebenzoate ester;
methyl ester;
secondary amino compound;
substituted aniline
animal metabolite;
fungal metabolite;
plant metabolite
00low000000
gramineaminoalkylindole;
indole alkaloid;
tertiary amino compound
antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
00low000000
2-furoic acidfuroic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
piperitonecyclic terpene ketone;
p-menthane monoterpenoid
plant metabolite;
volatile oil component
00low000000
resacetophenonedihydroxyacetophenone;
resorcinols
plant metabolite00low000000
salicylaldehydehydroxybenzaldehydenematicide;
plant metabolite
00low000000
1-methylnaphthalenemethylnaphthalenecarcinogenic agent;
plant metabolite
00low000000
pseudoephedrinephenylethanolamines;
secondary alcohol;
secondary amino compound
anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
00low000000
pyrogallol 1,3-dimethyl etherdimethoxybenzene;
phenols
plant metabolite00low000000
veratroledimethoxybenzeneplant metabolite00low000000
isatinindoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
00low000000
phenothiazinephenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
00low000000
veratric acidbenzoic acidsallergen;
plant metabolite
00low000000
synephrineethanolamines;
phenethylamine alkaloid;
phenols
alpha-adrenergic agonist;
plant metabolite
00low000000
piperonylic acidaromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid
antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
00low000000
benzothiazolebenzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
00low000000
2-methylbutanal2-methyl-branched fatty aldehyde;
methylbutanal
plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component
00low000000
methylcyclopentanecycloalkane;
volatile organic compound
human metabolite;
plant metabolite
00low000000
phosphoribosyl pyrophosphate5-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
00low000000
2-methylvaleric acidbranched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid
flavouring agent;
fragrance;
plant metabolite
00low000000
ethyl 2-methylpropanoatefatty acid ethyl esterplant metabolite00low000000
3-hydroxybenzoic acidmonohydroxybenzoic acidbacterial metabolite;
plant metabolite
00low000000
methyl gallategallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
00low000000
carveollimonene monoterpenoidplant metabolite;
volatile oil component
00low000000
methylparabenparabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
00low000000
alpha phellandrenecyclohexadiene;
phellandrene
antimicrobial agent;
plant metabolite;
volatile oil component
00low000000
gamma-terpinenecyclohexadiene;
monoterpene
antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component
00low000000
alpha-terpinenecyclohexadiene;
monoterpene
plant metabolite;
volatile oil component
00low000000
4-cymenemonoterpene;
toluenes
human urinary metabolite;
plant metabolite;
volatile oil component
00low000000
4-hydroxyacetophenonemonohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
00low000000
4-anisic acidmethoxybenzoic acidplant metabolite00low000000
styrenestyrenes;
vinylarene;
volatile organic compound
mouse metabolite;
mutagen;
plant metabolite
00low000000
benzylaminearalkylamine;
primary amine
allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
00low000000
anisolemonomethoxybenzeneplant metabolite00low000000
phenyl etheraromatic etherplant metabolite00low000000
1,3-diphenylureaphenylureascytokinin;
plant metabolite
00low000000
3-phenylpropanalaldehyde;
benzenes
flavouring agent;
plant metabolite
00low000000
2-ethylhexanolprimary alcoholplant metabolite;
volatile oil component
00low000000
4-methylbenzaldehydetolualdehydeplant metabolite00low000000
ethyl butyratebutyrate esterplant metabolite00low000000
12-hydroxy stearic acidhydroxyoctadecanoic acid;
secondary alcohol
bacterial xenobiotic metabolite;
plant metabolite
00low000000
methyl caproatefatty acid methyl ester;
hexanoate ester
flavouring agent;
plant metabolite
00low000000
propanethiolalkanethiolplant metabolite00low000000
allyl alcoholprimary allylic alcohol;
propenol
antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
00low000000
isoamylamineprimary aliphatic aminebacterial metabolite;
plant metabolite
00low000000
2-pentanonemethyl ketone;
pentanone
plant metabolite00low000000
methylcyclohexanecycloalkane;
volatile organic compound
aprotic solvent;
human metabolite;
plant metabolite
00low000000
n-pentanoic acidshort-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite00low000000
propyl acetateacetate esterfragrance;
plant metabolite
00low000000
allyl cyanidealiphatic nitrile;
olefinic compound
antifeedant;
neurotoxin;
plant metabolite
00low000000
ethyl formateethyl ester;
formate ester
fumigant;
plant metabolite
00low000000
pentanalsaturated fatty aldehydeplant metabolite00low000000
piperidineazacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine
base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
00low000000
heptanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite00low000000
1-hexanolhexanol;
primary alcohol
alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
201220208.7low000030
ethyl stearatelong-chain fatty acid ethyl ester;
octadecanoate ester
plant metabolite00low000000
heptanolheptanol;
primary alcohol
flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
00low000000
nonanealkaneplant metabolite;
volatile oil component
00low000000
pelargonic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
00low000000
undecan-2-onedialkyl ketone;
methyl ketone
plant metabolite;
rodenticide
00low000000
octyl acetateacetate esterplant metabolite00low000000
decanaldehydemedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
antifungal agent;
fragrance;
plant metabolite
00low000000
n-dodecanealkaneplant metabolite00low000000
undecan-1-olprimary alcohol;
undecanol
flavouring agent;
plant metabolite
00low000000
undecanalmedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
antimycobacterial drug;
plant metabolite;
volatile oil component
00low000000
dodecanoldodecanol;
primary alcohol
bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
1985198539.0low010000
1-tridecanollong-chain primary fatty alcohol;
tridecanol
bacterial metabolite;
human metabolite;
plant metabolite
00low000000
myristyl alcohollong-chain primary fatty alcohol;
tetradecanol
pheromone;
plant metabolite;
volatile oil component
00low000000
behenic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite00low000000
stearyl alcohollong-chain primary fatty alcohol;
octadecanol
algal metabolite;
human metabolite;
plant metabolite
00low000000
eicosanelong-chain alkaneplant metabolite00low000000
3-hydroxy-3-methylbuteneolefinic compound;
tertiary alcohol
animal metabolite;
fragrance;
pheromone;
plant metabolite
00low000000
3,4,5-trimethoxybenzoic acidbenzoic acids;
methoxybenzenes
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
00low000000
2-chlorobenzoic acid2-halobenzoic acid;
monochlorobenzoic acid
plant hormone;
plant metabolite
00low000000
scoparonearomatic ether;
coumarins
anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite
00low000000
dimethoxyphenylethylaminealkaloid;
aromatic ether;
phenylethylamine
allergen;
plant metabolite
00low000000
ethyl-p-hydroxybenzoateethyl ester;
paraben
antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
00low000000
piperonalarenecarbaldehyde;
benzodioxoles
fragrance;
insect repellent;
plant metabolite
00low000000
vanillic acidmethoxybenzoic acid;
monohydroxybenzoic acid
plant metabolite2002202213.0low000211
peucedaninaromatic ether;
furanocoumarin;
lactone
plant metabolite00low000000
indolebutyric acidindol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite
00low000000
syringaldehydedimethoxybenzene;
hydroxybenzaldehyde
hypoglycemic agent;
plant metabolite
00low000000
2-aminothiophenolaryl thiol;
substituted aniline
plant metabolite00low000000
shikimic acidalpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
202220222.0low000001
estragolealkenylbenzene;
monomethoxybenzene;
phenylpropanoid
carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
00low000000
citronellolmonoterpenoidplant metabolite00low000000
ethyl acetoacetateethyl esterantibacterial agent;
flavouring agent;
plant metabolite
00low000000
2-hydroxypyridinemonohydroxypyridineplant metabolite00low000000
hexanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
human metabolite;
plant metabolite
00low000000
n-heptanealkane;
volatile organic compound
non-polar solvent;
plant metabolite
00low000000
1-nonanolnonanol;
primary alcohol
antifungal agent;
flavouring agent;
plant metabolite;
volatile oil component
00low000000
2-vanillinbenzaldehydes;
guaiacols
antimutagen;
plant metabolite
00low000000
citronellyl acetateacetate ester;
monoterpenoid
plant metabolite00low000000
catechincatechinantioxidant;
plant metabolite
1997202116.6low0041142
chryseneortho-fused polycyclic areneplant metabolite00low000000
azuleneazulenes;
mancude carbobicyclic parent;
ortho-fused bicyclic arene
plant metabolite;
volatile oil component
00low000000
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2000200024.0low001000
pseudoephedrine hydrochloridehydrochlorideplant metabolite00low000000
galantaminebenzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
00low000000
citrullineamino 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
1997199727.0low001000
4-methylcatecholmethylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
00low000000
beta-erythroidinedelta-lactone;
indole alkaloid;
organic heterotetracyclic compound;
tertiary amino compound
muscle relaxant;
plant metabolite
00low000000
glycyrrhetinic acidcyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
immunomodulator;
plant metabolite
00low000000
pinanecarbobicyclic compound;
monoterpene;
terpenoid fundamental parent
plant metabolite00low000000
naphthazarinhydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
00low000000
aloe emodinaromatic primary alcohol;
dihydroxyanthraquinone
antineoplastic agent;
plant metabolite
00low000000
chrysophanic aciddihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
00low000000
emetineisoquinoline alkaloid;
pyridoisoquinoline
antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
00low000000
reticulinbenzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol
plant metabolite1964196460.0low010000
cytisinealkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound
nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
00low000000
indole-3-carbaldehydeheteroarenecarbaldehyde;
indole alkaloid;
indoles
bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite
00low000000
thymoquinone1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
00low000000
phenylpropanolamineamphetamines;
phenethylamine alkaloid
plant metabolite00low000000
4-hydroxyphenylethanolphenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
00low000000
phloretic acidhydroxy monocarboxylic acidplant metabolite00low000000
citronellic acidmedium-chain fatty acid;
monoterpenoid;
monounsaturated fatty acid
flavouring agent;
plant metabolite
00low000000
isovaleric acidbranched-chain saturated fatty acid;
methylbutyric acid;
short-chain fatty acid
mammalian metabolite;
plant metabolite
00low000000
iberinisothiocyanate;
sulfoxide
apoptosis inducer;
plant metabolite;
quorum sensing inhibitor
00low000000
16-hydroxypalmitic acidhydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid
plant metabolite00low000000
arachidic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite00low000000
octacosanoic acidstraight-chain saturated fatty acid;
ultra-long-chain fatty acid
plant metabolite00low000000
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite2002200222.0low000100
ascaridoleorganic heterobicyclic compound;
organic peroxide;
p-menthane monoterpenoid
antileishmanial agent;
antinematodal drug;
plant metabolite
00low000000
abietic acidabietane diterpenoid;
monocarboxylic acid
plant metabolite00low000000
hematoxylinorganic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol
histological dye;
plant metabolite
00low000000
podophyllotoxinfuronaphthodioxole;
lignan;
organic heterotetracyclic compound
antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
00low000000
pyridoxamine dihydrochloridehydrochloride;
vitamin B6
Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
tryptopholindolyl alcoholauxin;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
hemimellitenetrimethylbenzeneneurotoxin;
plant metabolite
00low000000
2-methylbenzaldehydetolualdehydeplant metabolite00low000000
syringic acidbenzoic acids;
dimethoxybenzene;
phenols
plant metabolite00low000000
6-methoxybenzoxazolinonearomatic ether;
benzoxazole
antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite
00low000000
1,1-dimethoxyethaneacetal;
diether
flavouring agent;
plant metabolite
00low000000
2-methylfuranfurans;
volatile organic compound
flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite
00low000000
perillyl alcohollimonene monoterpenoidplant metabolite;
volatile oil component
00low000000
cumic acidcumic acidplant metabolite00low000000
tricaprylinoctanoate ester;
triglyceride
anticonvulsant;
plant metabolite
00low000000
senecioic acidalpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monounsaturated fatty acid;
short-chain fatty acid
plant metabolite00low000000
3-hexen-1-olalkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound
plant metabolite00low000000
n-hexadecanelong-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
00low000000
beta-phellandrenephellandreneplant metabolite00low000000
tristearintriacylglycerol 54:0Caenorhabditis elegans metabolite;
plant metabolite
00low000000
lignoceric acidstraight-chain saturated fatty acid;
very long-chain fatty acid
Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-olterpineol;
tertiary alcohol
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
00low000000
6-methylsalicylic acidmonohydroxybenzoic acidPenicillium metabolite;
plant metabolite
00low000000
1-phenyl-1,2-propanedionealpha-diketone;
aromatic ketone
plant metabolite00low000000
2-methylcyclohexanonecyclohexanonesflavouring agent;
plant metabolite
00low000000
terpinolenep-menthadieneinsect repellent;
plant metabolite;
sedative;
volatile oil component
00low000000
isovalerylaldehydemethylbutanalflavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite;
volatile oil component
00low000000
levulinic acidoxopentanoic acid;
straight-chain saturated fatty acid
plant metabolite00low000000
2-tridecanonemethyl ketoneflavouring agent;
plant metabolite
00low000000
octadecanelong-chain alkanebacterial metabolite;
plant metabolite
00low000000
dimethylselenideorganoselenium compoundbacterial xenobiotic metabolite;
plant metabolite
00low000000
chorismic acid5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acidEscherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
2-methyl-5-(1-methylethenyl)cyclohexanolp-menthane monoterpenoid;
secondary alcohol
acaricide;
plant metabolite;
volatile oil component
00low000000
4-carboxybenzaladehydebenzaldehydes;
benzoic acids;
monocarboxylic acid
plant metabolite00low000000
3-methylbenzaldehydetolualdehydeplant metabolite00low000000
isovanillinbenzaldehydes;
monomethoxybenzene;
phenols
animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite
00low000000
2,5-dimethylfuranfuransantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
00low000000
2-hexanolhexanol;
secondary alcohol
human metabolite;
plant metabolite;
semiochemical
00low000000
ethyl palmitatehexadecanoate ester;
long-chain fatty acid ethyl ester
plant metabolite00low000000
2-nonanolnonanol;
secondary alcohol
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component
00low000000
n-propyl disulfideorganic disulfideplant metabolite00low000000
tridecanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
n-tetradecanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
pentadecanelong-chain alkaneanimal metabolite;
plant metabolite;
volatile oil component
00low000000
heptadecanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
nonadecanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
n-heneicosanelong-chain alkanepheromone;
plant metabolite;
volatile oil component
00low000000
docosanelong-chain alkaneplant metabolite00low000000
octacosanelong-chain alkaneplant metabolite00low000000
nonacosanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
bulbocapnineaporphine alkaloid;
aromatic ether;
oxacycle;
phenols
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite
00low000000
1,2,3-trimethoxybenzenemethoxybenzenesplant metabolite00low000000
2-pyrrolecarboxylic acidpyrrolecarboxylic acidplant metabolite00low000000
tridecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite00low000000
n-tricosanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
2-propylphenolphenolsflavouring agent;
plant metabolite
00low000000
isovanillic acidmethoxybenzoic acid;
monohydroxybenzoic acid
antibacterial agent;
plant metabolite
00low000000
tetracosanelong-chain alkaneplant metabolite;
volatile oil component
00low000000
docosanoldocosanol;
long-chain primary fatty alcohol
antiviral drug;
plant metabolite
00low000000
2-methylpyrrolidinepyrrolidinesplant metabolite00low000000
2-nonanonemethyl ketoneplant metabolite00low000000
ethyl gallategallate esterplant metabolite00low000000
3-methylfuranfurans;
volatile organic compound
Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
00low000000
pentadecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite
00low000000
dihydroferulic acidguaiacols;
monocarboxylic acid;
phenylpropanoid
antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
00low000000
fenchone, (+-)-isomercarbobicyclic compound;
cyclic terpene ketone;
fenchane monoterpenoid
plant metabolite00low000000
beta-pinenepineneplant metabolite00low000000
glycyrrhizic acidenone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin
EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
00low000000
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
1946202324.7low13298366363
selenomethionineselenoamino acid;
selenomethionines
plant metabolite00low000000
1-pentene-3-oneenoneflavouring agent;
genotoxin;
human metabolite;
plant metabolite
00low000000
dodecyldimethylamine oxidetertiary amine oxidedetergent;
plant metabolite
00low000000
2-undecanolsecondary alcohol;
undecanol
animal metabolite;
flavouring agent;
pheromone;
plant metabolite;
volatile oil component
00low000000
digoxigenin12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
00low000000
heliaminearomatic ether;
diether;
isoquinoline alkaloid;
isoquinolines
plant metabolite00low000000
6h-dibenzo-(b,d)-pyran-6-onebenzochromenoneplant metabolite00low000000
diallyl disulfideorganic disulfideantifungal agent;
antineoplastic agent;
plant metabolite
00low000000
glaucineaporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound
antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
00low000000
dihydroconiferyl alcoholeugenol;
primary alcohol
plant metabolite00low000000
propyl benzoatebenzoate esterantimicrobial food preservative;
flavouring agent;
plant metabolite
00low000000
2-methoxy-1,4-naphthoquinone1,4-naphthoquinones;
enol ether
antimicrobial agent;
metabolite;
plant metabolite
00low000000
tricosanoic acidstraight-chain saturated fatty acid;
very long-chain fatty acid
Daphnia magna metabolite;
human metabolite;
plant metabolite
00low000000
alpha-terpineolterpineolplant metabolite00low000000
acetosyringoneacetophenones;
dimethoxybenzene;
phenols
anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite
00low000000
pentadecanal2,3-saturated fatty aldehyde;
long-chain fatty aldehyde
antimicrobial agent;
plant metabolite;
volatile oil component
00low000000
2-ethylfuranfurans;
volatile organic compound
bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite
00low000000
sabinenethujeneplant metabolite2002202312.2low000402
palmatineberberine alkaloid;
organic heterotetracyclic compound
plant metabolite00low000000
n-butylbenzenesulfonamidesulfonamideneurotoxin;
plant metabolite
00low000000
furaneolcyclic ketone;
enol;
furans
flavouring agent;
fragrance;
plant metabolite
00low000000
methyl vanillatearomatic ether;
benzoate ester;
phenols
antioxidant;
plant metabolite
00low000000
2-octanoloctanol;
secondary alcohol
plant metabolite;
volatile oil component
00low000000
5-methoxyindole-2-carboxylic acidaromatic ether;
indolecarboxylic acid
EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite
00low000000
canadine, (s)-isomeran (S)-7,8,13,14-tetrahydroprotoberberine;
canadine
plant metabolite00low000000
14-methylhexadecanoic acidbranched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid
mammalian metabolite;
plant metabolite
00low000000
helenalincyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone
anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite
00low000000
dimethyldiselenideorganoselenium compoundbacterial metabolite;
human xenobiotic metabolite;
mammalian metabolite;
plant metabolite
00low000000
camptothecindelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
00low000000
isopentenyladenosineN-ribosyl-N(6)-isopentenyladenine;
nucleoside analogue
antineoplastic agent;
plant growth regulator;
plant metabolite
00low000000
s-methylcysteineS-alkyl-L-cysteine zwitterion;
S-alkyl-L-cysteine
human urinary metabolite;
plant metabolite
00low000000
dihydrocarvonedihydrocarvonesplant metabolite00low000000
marmesin, (r)-isomermarmesinplant metabolite;
rat metabolite;
xenobiotic metabolite
00low000000
4-hydroxybenzylcyanidehydroxynitrileplant metabolite00low000000
2,3,5-trimethylpyrazinepyrazinesanimal metabolite;
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite
00low000000
tetradecanoylphorbol acetateacetate 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
1982201128.2low0520710
2,4-dihydroxy-1,4-benzoxazin-3-onebenzoxazine;
cyclic hydroxamic acid;
lactol
allelochemical;
herbicide;
phytotoxin;
plant metabolite
00low000000
precocene iaromatic ether;
chromenes
plant metabolite;
precocenes
00low000000
1-deoxynojirimycin2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid
anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite
1990199034.0low101000
neohesperidin dihydrochalconedihydrochalcones;
disaccharide derivative;
neohesperidoside
environmental contaminant;
plant metabolite;
sweetening agent;
xenobiotic
00low000000
zingeronemethyl ketone;
monomethoxybenzene;
phenols
anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
00low000000
4-anisaldehydebenzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
00low000000
myrcenemonoterpeneanabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component
00low000000
diacetone alcoholbeta-hydroxy ketoneplant metabolite00low000000
methyl tetradecanoatefatty acid methyl esterflavouring agent;
fragrance;
plant metabolite
00low000000
nonanalmedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
human metabolite;
plant metabolite
00low000000
tetradecanal2,3-saturated fatty aldehyde;
long-chain fatty aldehyde
bacterial metabolite;
plant metabolite
00low000000
silybinaromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone
antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite
00low000000
oxypeucadanin, (s)-(-)-isomerepoxide;
furanocoumarin;
lactone
plant metabolite00low000000
amygdalincyanogenic glycoside;
disaccharide derivative;
gentiobioside
plant metabolite00low000000
colforsinacetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol
adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
1984200128.0low014200
swainsonineindolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
00low000000
octyl gallategallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
00low000000
vanillyl alcoholbenzyl alcohols;
guaiacols
plant metabolite00low000000
benzylaminopurine6-aminopurinescytokinin;
plant metabolite
00low000000
allyl methyl disulfideorganic disulfideplant metabolite;
volatile oil component
00low000000
octyl glucosidebeta-D-glucosideplant metabolite00low000000
dihydrochalconedihydrochalconesplant metabolite00low000000
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
2007200717.0low000100
betulinic acidhydroxy 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
2002200222.0low000100
calanolide acyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol
HIV-1 reverse transcriptase inhibitor;
plant metabolite
00low000000
baicalindihydroxyflavone;
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
00low000000
epigallocatechin gallateflavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
00low000000
aica ribonucleotide1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole
cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
salvinabietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
00low000000
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucosegallate ester;
galloyl beta-D-glucose
anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
00low000000
obtusifoliol14alpha-methyl steroid;
3beta-sterol
mouse metabolite;
plant metabolite
00low000000
baccatin iiiacetate ester;
benzoate ester;
tetracyclic diterpenoid
plant metabolite00low000000
secoisolariciresinolsecoisolariciresinolantidepressant;
phytoestrogen;
plant metabolite
00low000000
solanidine3beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent
plant metabolite;
toxin
00low000000
valerophenonearomatic ketoneplant metabolite;
volatile oil component
00low000000
2,4,6-trihydroxyacetophenonearomatic ketone;
benzenetriol;
methyl ketone
MALDI matrix material;
plant metabolite
00low000000
tangeretinpentamethoxyflavoneantineoplastic agent;
plant metabolite
00low000000
djenkolic aciddithioacetal;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid
plant metabolite;
toxin
00low000000
1-hexacosanolhexacosanol;
very long-chain primary fatty alcohol
insecticide;
plant metabolite
00low000000
actinidinecyclopentapyridine;
pyridine alkaloid
pheromone;
plant metabolite
00low000000
7-methylxanthineoxopurine;
purine alkaloid
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
00low000000
1-octacosanolfatty alcohol 28:0;
ultra-long-chain primary fatty alcohol
plant metabolite00low000000
suberosinaromatic ether;
coumarins
anticoagulant;
plant metabolite
00low000000
artemisininorganic peroxide;
sesquiterpene lactone
antimalarial;
plant metabolite
00low000000
isoscopoletinaromatic ether;
hydroxycoumarin
plant metabolite00low000000
methyl syringatebenzoate ester;
dimethoxybenzene;
phenols
plant metabolite00low000000
gallocatecholcatechin;
flavan-3,3',4',5,5',7-hexol
antioxidant;
food component;
plant metabolite
00low000000
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
00low000000
sesaminbenzodioxoles;
furofuran;
lignan
antineoplastic agent;
neuroprotective agent;
plant metabolite
00low000000
tetrahydroalstoninemethyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
plant metabolite00low000000
nobiletinmethoxyflavoneantineoplastic agent;
plant metabolite
00low000000
lycorineindolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
00low000000
picropodophyllinfuronaphthodioxole;
lignan;
organic heterotetracyclic compound
antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
00low000000
alantolactonenaphthofuran;
olefinic compound;
sesquiterpene lactone
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
vexibinol(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone
antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
00low000000
kaurenoic acident-kaurane diterpenoidanti-HIV-1 agent;
antineoplastic agent;
plant metabolite
00low000000
beta-amyrinpentacyclic triterpenoid;
secondary alcohol
Aspergillus metabolite;
plant metabolite
00low000000
pinostrobinmonohydroxyflavanone;
monomethoxyflavanone
antidote;
plant metabolite
00low000000
xanthomicroldihydroxyflavone;
trimethoxyflavone
antineoplastic agent;
plant metabolite
00low000000
voacaminealkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
00low000000
isoalantolactoneeudesmane sesquiterpenoid;
sesquiterpene lactone
antifungal agent;
apoptosis inducer;
plant metabolite
00low000000
pulsatilla saponin adisaccharide derivative;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
plant metabolite
00low000000
hederagenindihydroxy monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
plant metabolite00low000000
magnoflorineaporphine alkaloid;
quaternary ammonium ion
plant metabolite00low000000
brazilincatechols;
organic heterotetracyclic compound;
tertiary alcohol
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite
00low000000
strychnine n-oxidemonoterpenoid indole alkaloid;
organic heteroheptacyclic compound;
tertiary amine oxide
plant metabolite00low000000
pinoresinolpinoresinolhypoglycemic agent;
phytoestrogen;
plant metabolite
00low000000
dauricinearomatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound
plant metabolite00low000000
madecassic acidmonocarboxylic acid;
pentacyclic triterpenoid;
tetrol
antioxidant;
plant metabolite
00low000000
uvaretinaromatic ether;
dihydrochalcones;
polyketide;
resorcinol
antineoplastic agent;
plant metabolite
00low000000
fangchinolinearomatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle
anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
00low000000
sakuranetin(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavonoid phytoalexin;
monomethoxyflavanone
antimycobacterial drug;
plant metabolite
00low000000
maslinic aciddihydroxy monocarboxylic acid;
pentacyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
00low000000
indole-5-carboxylic acidindolecarboxylic acidplant metabolite00low000000
1,3,7,9-tetramethyluric acidoxopurine;
purine alkaloid
analgesic;
anti-inflammatory agent;
human xenobiotic metabolite;
plant metabolite
00low000000
phenylalanylleucinedipeptide zwitterion;
dipeptide
plant metabolite00low000000
ethyl protocatechuatecatechols;
ethyl ester
antibacterial agent;
antioxidant;
apoptosis inducer;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
plant metabolite
00low000000
3,5-dimethoxytoluenemethoxybenzenes;
toluenes
fragrance;
plant metabolite
00low000000
methylthioethanolaliphatic sulfide;
primary alcohol
plant metabolite;
xenobiotic metabolite
00low000000
cryptolepineindole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
cysteine protease inhibitor;
plant metabolite
00low000000
alpha-bergamotenebridged compound;
polycyclic olefin;
sesquiterpene
plant metabolite;
volatile oil component
00low000000
loganinbeta-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
00low000000
4-methyl-4-sulfanylpentan-2-onealkanethiol;
methyl ketone
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
5,7-dimethoxyflavonedimethoxyflavoneplant metabolite00low000000
nicotine3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
2005200817.5low000200
loganic acidalpha,beta-unsaturated monocarboxylic acid;
cyclopentapyran;
glucoside
plant metabolite00low000000
friedelincyclic terpene ketone;
pentacyclic triterpenoid
anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
00low000000
cholest-4-en-3-one3-oxo-Delta(4) steroid;
cholestanoid
human metabolite;
plant metabolite
00low000000
delta-tocopheroltocopherol;
vitamin E
food antioxidant;
plant metabolite
00low000000
cycloartenol3beta-sterol;
pentacyclic triterpenoid;
phytosterols
plant metabolite00low000000
beta-peltatinfuronaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols
antineoplastic agent;
plant metabolite
00low000000
elemololefinic compound;
sesquiterpenoid;
tertiary alcohol
fragrance;
plant metabolite
00low000000
spathulenolcarbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol
anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component
00low000000
mor-14hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound
anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
00low000000
vestitolaromatic ether;
hydroxyisoflavans;
methoxyisoflavan
anti-inflammatory agent;
phytoalexin;
plant metabolite
00low000000
gamma-tocopheroltocopherol;
vitamin E
algal metabolite;
food antioxidant;
plant metabolite
2004202011.2low000240
orotidinenucleoside;
pyrimidinemonocarboxylic acid;
uridines
bacterial metabolite;
fungal metabolite;
plant metabolite
00low000000
sugiolabietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols
antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger
00low000000
erythroseerythroseplant metabolite00low000000
24-methylene cycloartanol3beta-hydroxy steroid;
pentacyclic triterpenoid
plant metabolite00low000000
panosetrisaccharideplant metabolite00low000000
burseherninaromatic ether;
benzodioxoles;
butan-4-olide;
lignan
plant metabolite00low000000
sesaminolbenzodioxoles;
furofuran;
organic hydroxy compound
antioxidant;
plant metabolite
00low000000
4',5,6,7-tetramethoxyflavonetetramethoxyflavoneantimutagen;
plant metabolite
00low000000
gardenin bmonohydroxyflavone;
tetramethoxyflavone
plant metabolite00low000000
quercetin 5,7,3',4'-tetramethyl etherflavonols;
tetramethoxyflavone
plant metabolite00low000000
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acidalpha-amino acid;
aromatic amino acid;
beta-carboline alkaloid
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite;
rat metabolite
00low000000
sarsasapogenin, (3beta,5alpha,25r)-isomersapogeningout suppressant;
plant metabolite
00low000000
syringaresinolaromatic ether;
furofuran;
lignan;
polyether;
polyphenol
plant metabolite00low000000
cyclolaudenol3beta-hydroxy steroid;
pentacyclic triterpenoid
plant metabolite00low000000
galgravinaryltetrahydrofuran;
dimethoxybenzene;
lignan;
ring assembly
bone density conservation agent;
neuroprotective agent;
plant metabolite;
platelet aggregation inhibitor
00low000000
erythrodioldiol;
pentacyclic triterpenoid;
primary alcohol;
secondary alcohol
plant metabolite00low000000
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-olcarbobicyclic compound;
pinane monoterpenoid;
secondary alcohol
GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component
00low000000
selenomethionineamino acid zwitterion;
selenomethionine
plant metabolite00low000000
deguelinaromatic ether;
diether;
organic heteropentacyclic compound;
rotenones
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
00low000000
1,9-dideoxyforskolinacetate ester;
labdane diterpenoid;
organic heterotricyclic compound
plant metabolite00low000000
daidzin7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
plant metabolite00low000000
triptolidediterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound
antispermatogenic agent;
plant metabolite
00low000000
indospicinecarboxamidine;
non-proteinogenic L-alpha-amino acid
hepatotoxic agent;
plant metabolite
00low000000
cafestolditerpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
00low000000
nimbinacetate ester;
cyclic terpene ketone;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid
pesticide;
plant metabolite
00low000000
neoeriocitrin4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
neohesperidoside;
trihydroxyflavanone
plant metabolite00low000000
kahweolditerpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
00low000000
valeratesshort-chain fatty acid anion;
straight-chain saturated fatty acid anion
plant metabolite1990200626.0low001100
liquiritigenin4',7-dihydroxyflavanonehormone agonist;
plant metabolite
00low000000
s-sulphocysteineorganic thiosulfate;
S-substituted L-cysteine
human metabolite;
plant metabolite
00low000000
megestrol acetatebridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol
GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite
00low000000
stachydrinealkaloid;
amino-acid betaine;
N-methyl-L-alpha-amino acid
food component;
human blood serum metabolite;
plant metabolite
00low000000
echinuline2,5-diketopiperazines;
indole alkaloid;
indoles;
olefinic compound
Aspergillus metabolite;
marine metabolite;
plant metabolite
00low000000
cubebinbenzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol
analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
00low000000
1'-acetoxychavicol acetateacetate ester;
phenylpropanoid
antineoplastic agent;
NF-kappaB inhibitor;
plant metabolite
00low000000
hydrangenoldihydroisocoumarins;
phenols
anti-allergic agent;
plant metabolite
00low000000
matairesinolgamma-lactone;
lignan;
polyphenol
angiogenesis inhibitor;
anti-asthmatic agent;
phytoestrogen;
plant metabolite
00low000000
astilbin3'-hydroxyflavanones;
4'-hydroxyflavanones;
alpha-L-rhamnoside;
flavanone glycoside;
monosaccharide derivative;
tetrahydroxyflavanone
anti-inflammatory agent;
plant metabolite;
radical scavenger
00low000000
ginsenoside rh212beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite
00low000000
mannopineamino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound
plant metabolite00low000000
ribulose-1,5 diphosphateribulose phosphateEscherichia coli metabolite;
plant metabolite
00low000000
swertisindihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone;
monosaccharide derivative;
polyphenol
adenosine A1 receptor antagonist;
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
00low000000
senegalensin(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone
antibacterial agent;
plant metabolite
00low000000
glabranin(2S)-flavan-4-one;
dihydroxyflavanone
plant metabolite00low000000
rubiadindihydroxyanthraquinoneantibacterial agent;
antioxidant;
hepatoprotective agent;
plant metabolite
00low000000
soranjidioldihydroxyanthraquinoneantibacterial agent;
plant metabolite
00low000000
skullcapflavone iidihydroxyflavone;
tetramethoxyflavone
anti-asthmatic drug;
plant metabolite
00low000000
rubimaillinbenzochromene;
methyl ester;
phenols
acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite
00low000000
tiglic acid2-methylbut-2-enoic acidplant metabolite00low000000
psorosperminepoxide;
organic heterotetracyclic compound;
xanthones
antineoplastic agent;
plant metabolite
00low000000
delphinidin5-hydroxyanthocyanidinantineoplastic agent;
biological pigment;
plant metabolite
00low000000
sinensetinpentamethoxyflavoneplant metabolite00low000000
n-methylserotoninphenols;
tryptamines
human metabolite;
plant metabolite
00low000000
lyxonic acidlyxonic acidplant metabolite00low000000
kolaviron4'-methoxyflavanones;
biflavonoid;
dihydroflavonols;
ring assembly;
secondary alpha-hydroxy ketone
hepatoprotective agent;
plant metabolite
00low000000
spinosindihydroxyflavone;
flavone C-glycoside;
monomethoxyflavone
anxiolytic drug;
plant metabolite
00low000000
schizandrin baromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin
anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite
00low000000
acrovestoneacetophenones;
aromatic ether;
olefinic compound;
polyphenol
antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
00low000000
cirsilioldimethoxyflavone;
trihydroxyflavone
plant metabolite00low000000
isosakuranetin(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone
plant metabolite00low000000
matteucinol4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone
plant metabolite;
radical scavenger
00low000000
guvacolinealpha,beta-unsaturated carboxylic ester;
beta-amino acid ester;
enoate ester;
methyl ester;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine
muscarinic agonist;
plant metabolite
00low000000
corytuberineaporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound
plant metabolite00low000000
actinodaphineaporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound
antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor
00low000000
ar-turmeroneenone;
sesquiterpenoid
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite
00low000000
isolariciresinolguaiacols;
lignan;
polyphenol;
primary alcohol
plant metabolite00low000000
4'-demethyldesoxypodophyllotoxinfuronaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols
antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite
00low000000
t-cadinolcadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol
plant metabolite;
volatile oil component
00low000000
1-hydroxy-2-methylanthraquinonemonohydroxyanthraquinoneplant metabolite00low000000
nevadensindihydroxyflavone;
trimethoxyflavone
plant metabolite00low000000
salvigeninmonohydroxyflavone;
trimethoxyflavone
antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite
00low000000
secologaninaldehyde;
beta-D-glucoside;
enoate ester;
methyl ester;
pyrans;
secoiridoid glycoside
plant metabolite00low000000
columbianetin acetateacetate ester;
furanocoumarin
plant metabolite00low000000
maprounic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
HIV-1 reverse transcriptase inhibitor;
plant metabolite
00low000000
acetyl aleuritolic acidacetate ester;
monocarboxylic acid;
pentacyclic triterpenoid
antineoplastic agent;
plant metabolite
00low000000
myricanonearomatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols
antineoplastic agent;
plant metabolite
00low000000
glycyrrhetyl 3-monoglucuronidebeta-D-glucosiduronic acid;
enone;
monosaccharide derivative;
oxo dicarboxylic acid;
pentacyclic triterpenoid;
triterpenoid saponin
anti-allergic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
human xenobiotic metabolite;
plant metabolite;
sweetening agent
00low000000
hydroxysitosterol3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid
metabolite;
plant metabolite
00low000000
capsidioleremophilane sesquiterpenoid;
octahydronaphthalenes;
sesquiterpene phytoalexin
antifungal agent;
plant metabolite
00low000000
phaseollin (isoflavan)hydroxyisoflavansplant metabolite00low000000
cirsilineoldihydroxyflavone;
trimethoxyflavone
antineoplastic agent;
plant metabolite
00low000000
secoxyloganinbeta-D-glucoside;
dicarboxylic acid monoester;
enoate ester;
methyl ester;
monosaccharide derivative;
pyrans;
secoiridoid glycoside
anti-allergic agent;
antioxidant;
plant metabolite
00low000000
sclareollabdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
00low000000
butrin4'-hydroxyflavanones;
flavanone glycoside;
monohydroxyflavanone
anti-inflammatory agent;
plant metabolite
00low000000
diplopterolhopanoid;
pentacyclic triterpenoid;
tertiary alcohol
plant metabolite00low000000
anacardic acidhydroxy monocarboxylic acid;
hydroxybenzoic acid
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
00low000000
confertincyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide
anti-inflammatory agent;
metabolite;
plant metabolite
00low000000
pluviatolidearomatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols
plant metabolite00low000000
pectolinarindimethoxyflavone;
disaccharide derivative;
glycosyloxyflavone;
monohydroxyflavanone;
rutinoside
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite
00low000000
albicanolcarbobicyclic compound;
homoallylic alcohol;
primary alcohol;
sesquiterpenoid
antifeedant;
antifungal agent;
antineoplastic agent;
fungal metabolite;
mammalian metabolite;
marine metabolite;
plant metabolite
00low000000
inuviscolidegamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol
anti-inflammatory agent;
plant metabolite
00low000000
helioxanthinbenzodioxoles;
furonaphthodioxole;
lignan
anti-HBV agent;
antineoplastic agent;
plant metabolite
00low000000
(2S)-5,7-dihydroxy-6,8-dimethylflavanonedihydroxyflavanoneEC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
00low000000
medioresinoldimethoxybenzene;
furofuran;
lignan;
polyphenol
plant metabolite00low000000
5-heptadecylresorcinol5-alkylresorcinolantineoplastic agent;
plant metabolite
00low000000
(+)-epicatechincatechin;
polyphenol
cyclooxygenase 1 inhibitor;
plant metabolite
00low000000
kobusinbenzodioxoles;
dimethoxybenzene;
furofuran;
lignan
plant metabolite00low000000
nootkatol6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-olplant metabolite00low000000
ergolideacetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone
anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite
00low000000
dihydroresveratrolstilbenolplant metabolite;
xenobiotic metabolite
00low000000
glycitin7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative
plant metabolite00low000000
benzyl d-glucopyranosidebenzenes;
beta-D-glucoside
plant metabolite00low000000
chrysosplenol ctrihydroxyflavone;
trimethoxyflavone
antineoplastic agent;
antiviral agent;
plant metabolite
00low000000
5-o-methyllicoricidinaromatic ether;
hydroxyisoflavans;
methoxyisoflavan
antibacterial agent;
plant metabolite
00low000000
(-)-gallocatechin gallatecatechin;
gallate ester;
polyphenol
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
00low000000
pronuciferinearomatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound
plant metabolite00low000000
santoninbotanical anti-fungal agent;
santonin
plant metabolite00low000000
sandaracopimaric acidmonocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid
plant metabolite00low000000
sitosterol, (3beta)-isomer3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol
anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
00low000000
erythritolbutane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
00low000000
stigmastanol3-hydroxy steroid;
phytosterols
anticholesteremic drug;
plant metabolite
00low000000
vincaleukoblastineacetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid
antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
00low000000
3-octanonedialkyl ketoneantifeedant;
biomarker;
fungal metabolite;
human urinary metabolite;
insect attractant;
plant metabolite;
toxin
00low000000
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1986198638.0low010000
lupeolpentacyclic triterpenoid;
secondary alcohol
anti-inflammatory drug;
plant metabolite
00low000000
noscapinearomatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound
antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
00low000000
aromaticincyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone
anti-inflammatory agent;
metabolite;
plant metabolite
00low000000
methyl 3,4-dihydroxybenzoatecatechols;
methyl ester
antioxidant;
neuroprotective agent;
plant metabolite
00low000000
2-hydroxy-1,4-benzoxazin-3-onebenzoxazine;
lactam;
lactol
allelochemical;
plant metabolite
00low000000
menthofuran1-benzofurans;
monoterpenoid
nematicide;
plant metabolite
00low000000
lariciresinolaromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol
antifungal agent;
plant metabolite
00low000000
medicarpinmedicarpinplant metabolite00low000000
anthricinfuronaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
indole-3-acetonitrileindoles;
nitrile
auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite
00low000000
taiwanin cbenzodioxoles;
furonaphthodioxole;
lignan
antineoplastic agent;
plant metabolite;
platelet aggregation inhibitor
00low000000
sampanginealkaloid;
organic heterotetracyclic compound
antifungal agent;
plant metabolite
00low000000
isochamaejasminbiflavonoid;
hydroxyflavone
plant metabolite00low000000
norbelladinecatechols;
phenethylamine alkaloid;
polyphenol;
secondary amino compound
plant metabolite00low000000
canavanineamino acid zwitterion;
non-proteinogenic L-alpha-amino acid
phytogenic insecticide;
plant metabolite
00low000000
raffinoseraffinose family oligosaccharide;
trisaccharide
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
naringenin(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
00low000000
5-hydroxytryptophan5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid
human metabolite;
mouse metabolite;
plant metabolite
00low000000
theanineamino acid zwitterion;
N(5)-alkyl-L-glutamine
geroprotector;
neuroprotective agent;
plant metabolite
00low000000
ouabain11alpha-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
1986199235.0low132000
scopolinbeta-D-glucoside;
coumarins;
monosaccharide derivative
plant metabolite00low000000
stachyoseraffinose family oligosaccharide;
tetrasaccharide
mouse metabolite;
plant metabolite
00low000000
isomaltuloseglycosylfructoseanimal metabolite;
plant metabolite;
sweetening agent
00low000000
discretamineberberine alkaloid;
organic heterotetracyclic compound
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite
00low000000
mimosine4-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
00low000000
pelargonidin5-hydroxyanthocyanidinplant metabolite00low000000
(+)-limonenelimoneneplant metabolite00low000000
hygrine1-(1-methylpyrrolidin-2-yl)acetone;
pyrrolidine alkaloid
plant metabolite00low000000
arbutinbeta-D-glucoside;
monosaccharide derivative
Escherichia coli metabolite;
plant metabolite
00low000000
conessinesteroid alkaloid;
tertiary amino compound
antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
00low000000
canalineamino acid zwitterion;
non-proteinogenic L-alpha-amino acid
antimetabolite;
antineoplastic agent;
phytogenic insecticide;
plant metabolite
00low000000
norpseudoephedrineamphetamines;
phenethylamine alkaloid
central nervous system stimulant;
plant metabolite;
psychotropic drug
00low000000
sophoranone4'-hydroxyflavanones;
dihydroxyflavanone
plant metabolite00low000000
petunidin5-hydroxyanthocyanidinplant metabolite00low000000
glaucarubinonecarboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol
antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite
00low000000
helveticoside14beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolide glycoside;
digitoxoside;
monosaccharide derivative;
steroid aldehyde;
steroid lactone
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
ginsenoside re12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite
00low000000
ginsenoside rf12beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
3-o-(alpha-l-arabinopyranosyl)hederageninalpha-L-arabinopyranoside;
hydroxy monocarboxylic acid;
monosaccharide derivative;
pentacyclic triterpenoid;
triterpenoid saponin
plant metabolite00low000000
notoginsenoside r112beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
antioxidant;
apoptosis inducer;
neuroprotective agent;
phytoestrogen;
plant metabolite
00low000000
2-(2-phenylethyl)chromonebenzenes;
chromones
plant metabolite00low000000
ferruginolabietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols
antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
00low000000
steviosidebeta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent
00low000000
lenticinamino-acid betaine;
indole alkaloid;
L-tryptophan derivative
fungal metabolite;
plant metabolite;
xenobiotic
00low000000
absynthinorganic heteroheptacyclic compound;
sesquiterpene lactone;
triterpenoid
anti-inflammatory agent;
plant metabolite
00low000000
abyssinone imonohydroxyflavanone;
phenols
apoptosis inhibitor;
plant metabolite
00low000000
afzelechincatechin;
tetrahydroxyflavan
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite
00low000000
asebogenindihydrochalconesplant metabolite00low000000
lactucinazulenofuran;
cyclic terpene ketone;
enone;
primary alcohol;
secondary alcohol;
sesquiterpene lactone
antimalarial;
plant metabolite;
sedative
00low000000
picrotindiol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol
plant metabolite00low000000
picrotoxininepoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol
GABA antagonist;
plant metabolite;
serotonergic antagonist
00low000000
solavetivonecyclic ketone;
sesquiterpenoid;
spiro compound
phytoalexin;
plant metabolite
00low000000
thujopsenethujopseneplant metabolite00low000000
agnusidebenzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside
anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent
00low000000
dolichodialdialdehyde;
iridoid monoterpenoid;
olefinic compound
animal metabolite;
plant metabolite;
volatile oil component
00low000000
theasinensin abiflavonoid;
gallate ester;
proanthocyanidin
anti-inflammatory agent;
anticoronaviral agent;
apoptosis inducer;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
melanin synthesis inhibitor;
plant metabolite
00low000000
5,6,7-trimethoxyflavonetrimethoxyflavoneanti-HSV-1 agent;
plant metabolite
00low000000
ammodendrineacetamides;
N-acylpiperidine;
piperidine alkaloid
plant metabolite;
teratogenic agent
00low000000
carpainealkaloid;
macrodiolide
cardiovascular drug;
plant metabolite
00low000000
myosminepyridine alkaloid;
pyrroline
EC 1.14.14.14 (aromatase) inhibitor;
mutagen;
plant metabolite
00low000000
dihydropinosylvindiphenylethane;
resorcinols
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
00low000000
gingerolbeta-hydroxy ketone;
guaiacols
antineoplastic agent;
plant metabolite
00low000000
mucronulatolhydroxyisoflavans;
methoxyisoflavan
antineoplastic agent;
plant metabolite
00low000000
ononin4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
monosaccharide derivative
plant metabolite00low000000
yateinbenzodioxoles;
butan-4-olide;
lignan;
methoxybenzenes
plant metabolite00low000000
solasodinealkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid
anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent
00low000000
1-alpha-terpineolalpha-terpineolplant metabolite00low000000
7-deoxyloganic acidalpha,beta-unsaturated monocarboxylic acid;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
monoterpene glycoside
plant metabolite00low000000
epiafzelechincatechinplant metabolite00low000000
maleic acidbutenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
00low000000
e-z cinnamic acidcinnamic acidplant metabolite00low000000
farnesolfarnesolplant metabolite00low000000
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
2001202311.4low000342
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
1951202328.5low411141072
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
1947202424.2medium5722626625829949
ferulic acidferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
00low000000
cocainebenzoate 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
2012201212.0low000010
lycopeneacyclic caroteneantioxidant;
plant metabolite
2006201811.0low000240
benzoylecgoninebenzoate ester;
tropane alkaloid
epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
00low000000
zeatinzeatinplant metabolite00low000000
gamma-sitosterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols
marine metabolite;
plant metabolite
00low000000
costatolidecyclic ether;
delta-lactone;
organic heterotetracyclic compound;
secondary alcohol
HIV-1 reverse transcriptase inhibitor;
plant metabolite
00low000000
euscaphic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid;
triol
plant metabolite00low000000
cinnamtannin b-1proanthocyanidincyclooxygenase 2 inhibitor;
plant metabolite
00low000000
meso-dihydroguaiaretic acidguaiacols;
lignan
plant metabolite00low000000
8-prenylnaringenin(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone
plant metabolite;
platelet aggregation inhibitor
00low000000
gancaonin I1-benzofurans;
aromatic ether;
resorcinols
antibacterial agent;
plant metabolite
00low000000
6,8-diprenylgenistein7-hydroxyisoflavonesantibacterial agent;
plant metabolite
00low000000
glycyrinaromatic ether;
coumarins;
hydroxyisoflavans
antibacterial agent;
metabolite;
plant metabolite
00low000000
glyasperin Daromatic ether;
hydroxyisoflavans;
methoxyisoflavan
plant metabolite00low000000
licoricidinaromatic ether;
hydroxyisoflavans;
methoxyisoflavan
antibacterial agent;
plant metabolite
00low000000
pallidolcarbopolycyclic compound;
polyphenol;
stilbenoid
antifungal agent;
antioxidant;
plant metabolite
00low000000
egonol1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol
plant metabolite00low000000
23-hydroxytormentic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid;
tetrol
anti-inflammatory agent;
plant metabolite
00low000000
riboflavinflavin;
vitamin B2
anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
1983201520.3low011220
licocoumarone1-benzofurans;
aromatic ether;
resorcinols
antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
00low000000
likviritonbeta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative
anti-inflammatory agent;
anticoronaviral agent;
plant metabolite
00low000000
sodium benzoateorganic sodium saltalgal 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
00low000000
3-mercaptohexanolalkanethiol;
primary alcohol
flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
3'-methoxyflavone3'-methoxyflavonesplant metabolite00low000000
piperlactam salkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols
anti-inflammatory agent;
antioxidant;
plant metabolite
00low000000
piperylinebenzodioxoles;
N-acylpyrrolidine;
pyrrolidine alkaloid;
tertiary carboxamide
antifungal agent;
apoptosis inducer;
plant metabolite
00low000000
crotonic acid2-butenoic acidplant metabolite00low000000
rhapontinrhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite
00low000000
cinnamaldehyde3-phenylprop-2-enal;
cinnamaldehydes
antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
00low000000
methyl cinnamatemethyl cinnamateantibacterial agent;
fungal metabolite;
nematicide;
plant metabolite
00low000000
trans-4-coumaric acid4-coumaric acidfood component;
mouse metabolite;
plant metabolite
00low000000
2,4-hexadienalhexadienal;
polyunsaturated fatty aldehyde;
volatile organic compound
flavouring agent;
plant metabolite
00low000000
geraniol3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol
allergen;
fragrance;
plant metabolite;
volatile oil component
00low000000
epipinoresinolpinoresinolmarine metabolite;
plant metabolite
00low000000
sinapinic acidsinapic acidMALDI matrix material;
plant metabolite
00low000000
citralenal;
monoterpenoid;
polyprenal
plant metabolite;
volatile oil component
00low000000
piperinebenzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide
food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
00low000000
squalenetriterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1953202124.0low042362
coumestancoumestans;
delta-lactone
phytoestrogen;
plant metabolite
00low000000
antofinealkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound
angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
00low000000
p-hydroxycinnamaldehydecinnamaldehydesapoptosis inducer;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
plant metabolite
00low000000
n-methylprolineL-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound
human metabolite;
plant metabolite
00low000000
vedelianincyclic ether;
organic heterotricyclic compound;
resorcinols;
stilbenoid
antineoplastic agent;
plant metabolite
00low000000
pedilstatinacetate ester;
phorbol ester;
primary allylic alcohol
plant metabolite00low000000
nerol3,7-dimethylocta-2,6-dien-1-olfragrance;
plant metabolite;
volatile oil component
00low000000
cannabidiololefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
202120213.0low000001
amygdalinamygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
3,3',4,5'-tetrahydroxystilbenecatechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
00low000000
dehydrovomifolioldehydrovomifoliolplant metabolite00low000000
isoeugenolisoeugenolplant metabolite00low000000
cotinineN-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid
antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
00low000000
huperzine aorganic heterotricyclic compound;
primary amino compound;
pyridone;
sesquiterpene alkaloid
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent;
nootropic agent;
plant metabolite
00low000000
nootkatonecarbobicyclic compound;
enone;
sesquiterpenoid
fragrance;
insect repellent;
plant metabolite
00low000000
geranyl acetateacetate ester;
monoterpenoid
plant metabolite00low000000
coniferyl alcoholguaiacols;
phenylpropanoid
animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component
00low000000
geranylacetonemonoterpene ketoneflavouring agent;
fragrance;
plant metabolite;
volatile oil component
00low000000
auraptencoumarins;
monoterpenoid
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
00low000000
chlorogenic acidcinnamate ester;
tannin
food component;
plant metabolite
1984202316.0low010102
goitrin5-ethenyl-1,3-oxazolidine-2-thioneantiviral agent;
plant metabolite
00low000000
7-deacetylgedunincyclic terpene ketone;
delta-lactone;
enone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid
anti-inflammatory agent;
antimalarial;
metabolite;
plant metabolite
00low000000
manoollabdane diterpenoid;
tertiary alcohol
antibacterial agent;
antineoplastic agent;
plant metabolite
00low000000
2-oxindole-3-acetic acidindole-3-acetic acids;
monocarboxylic acid;
oxindoles
plant metabolite00low000000
bigelovinacetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone
antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite
00low000000
cyclanolineberberine alkaloid;
quaternary ammonium ion
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
plant metabolite
00low000000
sideroxylindihydroxyflavone;
monomethoxyflavone
plant metabolite00low000000
ladaneindihydroxyflavone;
dimethoxyflavone
antiviral agent;
plant metabolite;
radical scavenger
00low000000
t-muurololcadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol
bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component
00low000000
alpha-carotenecarotenoid beta-end derivative;
cyclic carotene
plant metabolite;
provitamin A
00low000000
citramalatedicarboxylic acid dianionhuman metabolite;
plant metabolite
00low000000
fraxinaromatic ether;
beta-D-glucoside;
hydroxycoumarin
anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
00low000000
decaprenoic acidalpha,beta-unsaturated monocarboxylic acid;
methyl-branched fatty acid;
monoterpenoid;
polyunsaturated fatty acid
antifungal agent;
EC 1.14.18.1 (tyrosinase) inhibitor;
melanin synthesis inhibitor;
pheromone;
plant metabolite
00low000000
gallocatechin-3-gallatecatechin;
gallate ester;
polyphenol
plant metabolite00low000000
quercetin7-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
1995202313.5low001853
coniferinaromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative
plant metabolite00low000000
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
00low000000
formononetin4'-methoxyisoflavones;
7-hydroxyisoflavones
phytoestrogen;
plant metabolite
00low000000
gibberellin a1C19-gibberellin;
gibberellin monocarboxylic acid;
lactone
plant metabolite00low000000
leukotriene a4epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid
human metabolite;
mouse metabolite;
plant metabolite
200920228.5low000101
sinapineacylcholineantioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite
00low000000
trans-phytolditerpenoid;
long-chain primary fatty alcohol
algal metabolite;
plant metabolite;
schistosomicide drug
00low000000
vitexinC-glycosyl compound;
trihydroxyflavone
antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
00low000000
acacetindihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant metabolite
00low000000
luteolin3'-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
00low000000
quercitrinalpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
00low000000
scopoletinhydroxycoumarinplant growth regulator;
plant metabolite
00low000000
beta carotenecarotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
1987202314.9low211056497
leukotriene b4dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid
human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
1985201430.0low3914710
coniferaldehydecinnamaldehydes;
guaiacols;
phenylpropanoid
antifungal agent;
plant metabolite
00low000000
herbacetin7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
plant metabolite
00low000000
5'-o-caffeoylquinic acidcinnamate ester;
cyclitol carboxylic acid
plant metabolite00low000000
luteolin-7-glucosidebeta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antioxidant;
plant metabolite
00low000000
gossypetin7-hydroxyflavonol;
hexahydroxyflavone
plant metabolite00low000000
ayanindihydroxyflavone;
trimethoxyflavone
plant metabolite00low000000
apiinbeta-D-glucoside;
dihydroxyflavone;
glycosyloxyflavone
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
00low000000
(all-e) phytoenephytoeneplant metabolite00low000000
vitamin d 2hydroxy seco-steroid;
seco-ergostane;
vitamin D
bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
1963196460.8low050000
stigmasterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol
plant metabolite2002202011.0low000250
sinapaldehydecinnamaldehydes;
dimethoxybenzene;
phenols
antifungal agent;
plant metabolite
00low000000
quercetin 3-o-glucopyranosidebeta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
00low000000
3-methylkaempferolmonomethoxyflavone;
trihydroxyflavone
plant metabolite00low000000
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
00low000000
abscisic acid2-cis-abscisic acidplant hormone;
plant metabolite
00low000000
senecioninelactone;
pyrrolizidine alkaloid;
tertiary alcohol
plant metabolite00low000000
gamma-linolenic acidlinolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
1965202325.9medium15324723194
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2001201815.8low000220
petroselinic acidoctadec-6-enoic acidplant metabolite00low000000
cyclobenzaprine9,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite
00low000000
jasmonic acidoxo monocarboxylic acidjasmonates;
plant metabolite
00low000000
2-hexenal, z-isomer2-hexenalantibacterial agent;
flavouring agent;
plant metabolite
00low000000
aureusidinhydroxyauroneplant metabolite00low000000
buteinchalcones;
polyphenol
antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
00low000000
antheraxanthinepoxycarotenolbiological pigment;
marine metabolite;
plant metabolite
00low000000
astaxanthinecarotenol;
carotenone
animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
00low000000
capsanthincarotenoneplant metabolite00low000000
gardenia yellowdiester;
disaccharide derivative;
diterpenoid
antioxidant;
food colouring;
histological dye;
plant metabolite
00low000000
cryptoxanthinscarotenolantioxidant;
biomarker;
plant metabolite;
provitamin A
00low000000
luteincarotenolfood colouring;
plant metabolite
1993201819.3low002310
hispidolhydroxyauroneplant metabolite00low000000
isobutrinbeta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols
anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
00low000000
cassaineenoate ester;
organic hydroxy compound;
tertiary amino compound;
tricyclic diterpenoid
antihypertensive agent;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
local anaesthetic;
plant metabolite;
poison
00low000000
okaninbenzenetriol;
chalcones
plant metabolite00low000000
cucurbitacin icucurbitacin;
tertiary alpha-hydroxy ketone
antineoplastic agent;
plant metabolite
00low000000
brassicasterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols
algal metabolite;
animal metabolite;
biomarker;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
human metabolite;
marine metabolite;
plant metabolite;
sterol biosynthesis inhibitor
00low000000
harmanharmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid
anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
00low000000
esculetinhydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
00low000000
7-hydroxycoumarinhydroxycoumarinfluorescent probe;
food component;
plant metabolite
00low000000
eupatolidegamma-lactone;
germacranolide;
homoallylic alcohol;
secondary alcohol
antineoplastic agent;
plant metabolite
00low000000
petasinalicyclic ketone;
enoate ester;
enone;
sesquiterpenoid
anti-allergic agent;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator;
plant metabolite;
vasodilator agent
00low000000
oleuropeinbeta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside
anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger
00low000000
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
00low000000
apigenin dimethyletherdimethoxyflavone;
monohydroxyflavone
plant metabolite00low000000
axillarindimethoxyflavone;
tetrahydroxyflavone
plant metabolite00low000000
azaleatin7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
plant metabolite00low000000
baicaleintrihydroxyflavoneangiogenesis 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
00low000000
chrysin7-hydroxyflavonol;
dihydroxyflavone
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
00low000000
chrysosplenetin bdihydroxyflavone;
tetramethoxyflavone
antiviral agent;
plant metabolite
00low000000
diosmetin3'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent
00low000000
fisetin3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
00low000000
galangin7-hydroxyflavonol;
trihydroxyflavone
antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
00low000000
gossypin7-hydroxyflavonol;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone
neuroprotective agent;
plant metabolite
00low000000
hispidulinmonomethoxyflavone;
trihydroxyflavone
anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
00low000000
euxanthonephenols;
xanthones
metabolite;
plant metabolite
00low000000
gartaninpolyphenol;
xanthones
antineoplastic agent;
plant metabolite
00low000000
gentiacauleinaromatic ether;
polyphenol;
xanthones
plant metabolite00low000000
gentiseinpolyphenol;
xanthones
plant metabolite00low000000
gentisinaromatic ether;
polyphenol;
xanthones
plant metabolite00low000000
isogentisinaromatic ether;
polyphenol;
xanthones
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
00low000000
hyperosidebeta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
00low000000
mangiferinC-glycosyl compound;
xanthones
anti-inflammatory agent;
antioxidant;
hypoglycemic agent;
plant metabolite
00low000000
mangostinaromatic ether;
phenols;
xanthones
antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
00low000000
1,8-dihydroxy-3,7-dimethoxyxanthonearomatic ether;
polyphenol;
xanthones
plant metabolite00low000000
norathyriolpolyphenol;
xanthones
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
00low000000
1,2,8-trihydroxy-6-methoxyxanthonearomatic ether;
polyphenol;
xanthones
antioxidant;
plant metabolite
00low000000
kuwanon gresorcinols;
tetrahydroxyflavone
anti-inflammatory agent;
plant metabolite
00low000000
kuwanon hresorcinols;
tetrahydroxyflavone
plant metabolite00low000000
morusinextended flavonoid;
trihydroxyflavone
antineoplastic agent;
plant metabolite
00low000000
myricetin7-hydroxyflavonol;
hexahydroxyflavone
antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
00low000000
myricitrinalpha-L-rhamnoside;
glycosyloxyflavone;
monosaccharide derivative;
pentahydroxyflavone
anti-allergic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
plant metabolite
00low000000
pachypodoldihydroxyflavone;
trimethoxyflavone
antiemetic;
plant metabolite
00low000000
quercetagetinflavonols;
hexahydroxyflavone
antioxidant;
antiviral agent;
plant metabolite
00low000000
robinetin7-hydroxyflavonol;
pentahydroxyflavone
plant metabolite00low000000
robinindihydroxyflavone;
glycosyloxyflavone
plant metabolite00low000000
santindihydroxyflavone;
trimethoxyflavone
plant metabolite00low000000
wogonindihydroxyflavone;
monomethoxyflavone
angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
00low000000
7-hydroxy-6,4'-dimethoxyisoflavone4'-methoxyisoflavones;
7-hydroxyisoflavones
plant metabolite00low000000
coumestrolcoumestans;
delta-lactone;
polyphenol
anti-inflammatory agent;
antioxidant;
plant metabolite
00low000000
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
00low000000
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
00low000000
genistein-8-c-glucoside7-hydroxyisoflavones;
C-glycosyl compound
plant metabolite00low000000
5-o-caffeoylshikimic acidalpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid
plant metabolite00low000000
cynarinealkyl caffeate ester;
quinic acid
plant metabolite00low000000
iridin4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative
plant metabolite00low000000
rosmarinic acidrosmarinic acidgeroprotector;
plant metabolite
2008201513.0low000220
acteosidecatechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
00low000000
orobol7-hydroxyisoflavonesanti-inflammatory agent;
fungal metabolite;
plant metabolite;
radical scavenger
00low000000
psi-baptigenin7-hydroxyisoflavones;
benzodioxoles
antiprotozoal drug;
plant metabolite
00low000000
psoralidincoumestans;
delta-lactone;
polyphenol
estrogen receptor agonist;
plant metabolite
00low000000
puerarinC-glycosyl compound;
hydroxyisoflavone
plant metabolite00low000000
tectoridin7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
methoxyisoflavone;
monosaccharide derivative
plant metabolite00low000000
tectorigenin7-hydroxyisoflavones;
methoxyisoflavone
anti-inflammatory agent;
plant metabolite
00low000000
wighteone7-hydroxyisoflavonesantifungal agent;
plant metabolite
00low000000
maytansinealpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound
antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
00low000000
ellagic acidcatechols;
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
2014201410.0low000010
savininbenzodioxoles;
gamma-lactone;
lignan
anti-inflammatory agent;
anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
plant metabolite;
T-cell proliferation inhibitor
00low000000
tectochrysinmonohydroxyflavone;
monomethoxyflavone
antidiarrhoeal drug;
antineoplastic agent;
plant metabolite
00low000000
2'-hydroxygenisteinhydroxyisoflavoneplant metabolite00low000000
astragalinbeta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone
plant metabolite;
trypanocidal drug
00low000000
cinnamyl acetateacetate esterplant metabolite00low000000
kaempferol-3-o-galactosidebeta-D-galactoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antifungal agent;
plant metabolite
00low000000
vitexin rhamnosideC-glycosyl compound;
disaccharide derivative;
trihydroxyflavone
plant metabolite00low000000
kaempferol 3-o-sophorosidesophoroside;
trihydroxyflavone
plant metabolite00low000000
quercetin-3-o-sophorosidesophoroside;
tetrahydroxyflavone
antioxidant;
plant metabolite
00low000000
ethyl linoleatelong-chain fatty acid ethyl esteranti-inflammatory agent;
plant metabolite
00low000000
plaunotolditerpenoid;
primary alcohol
anti-ulcer drug;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
nephroprotective agent;
plant metabolite;
vulnerary
00low000000
sofalconearomatic ether;
chalcones;
monocarboxylic acid
anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
00low000000
xanthoxinapo carotenoid sesquiterpenoid;
enal
plant growth retardant;
plant metabolite
00low000000
tocotrienol, alphatocotrienol;
vitamin E
ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite
00low000000
tocotrienol, betatocotrienol;
vitamin E
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
gamma-tocotrienoltocotrienol;
vitamin E
antineoplastic agent;
antioxidant;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
radiation protective agent
00low000000
tocotrienol, deltatocotrienol;
vitamin E
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
NF-kappaB inhibitor;
plant metabolite;
radiation protective agent;
Saccharomyces cerevisiae metabolite
00low000000
4-hydroxychalconechalcones;
phenols
antihypertensive agent;
plant metabolite
00low000000
9-hydroxy-10,12-octadecadienoic acidHODE;
octadecadienoic acid
human metabolite;
metabolite;
mouse metabolite;
plant metabolite
00low000000
2-heptenalenal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde
plant metabolite;
uremic toxin
00low000000
2-nonenal, (trans)-isomerenal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde
plant metabolite00low000000
oleylamideprimary fatty amidehuman metabolite;
plant metabolite
00low000000
1-monooleoyl-rac-glycerol1-acylglycerol 18:1;
monooleoylglycerol
plant metabolite00low000000
monolinolein1-acylglycerol 18:2;
rac-1-monoacylglycerol
antiviral agent;
human metabolite;
plant metabolite
00low000000
methyl linoleatefatty acid methyl esterplant metabolite00low000000
vitamin k 1phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
1985198539.0low010000
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
1999200422.5low001100
delta(3)-hexadecenoic acidhexadecenoic acidplant metabolite00low000000
stearidonic acidlong-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid
Daphnia galeata metabolite;
mouse metabolite;
plant metabolite
00low000000
juniperonic acidicosatetraenoic acidplant metabolite00low000000
casticindihydroxyflavone;
tetramethoxyflavone
apoptosis inducer;
plant metabolite
00low000000
rosmarinic acidcarboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
00low000000
cannabigerolphytocannabinoid;
resorcinols
anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite
00low000000
centaureidintrihydroxyflavone;
trimethoxyflavone
antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
00low000000
cinnamyl alcoholcinnamyl alcoholplant metabolite00low000000
7-demethylsuberosinhydroxycoumarinplant metabolite00low000000
kaempferol 3-o-rhamnosideglycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
anti-inflammatory agent;
antibacterial agent;
plant metabolite
00low000000
syringinbeta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol
hepatoprotective agent;
plant metabolite
00low000000
3,3'-di-o-methylquercetin3'-methoxyflavones;
dimethoxyflavone;
trihydroxyflavone
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
glycitein7-hydroxyisoflavone;
methoxyisoflavone
fungal metabolite;
phytoestrogen;
plant metabolite
00low000000
glycycoumarinaromatic ether;
coumarins;
resorcinols
antispasmodic drug;
plant metabolite
00low000000
quadrangularin aindanes;
polyphenol;
stilbenoid
antioxidant;
plant metabolite
00low000000
isoginkgetinaromatic ether;
biflavonoid
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
00low000000
isomangiferinC-glycosyl compound;
polyphenol;
xanthones
anti-HSV-1 agent;
plant metabolite
00low000000
isosalipurposidebeta-D-glucoside;
chalcones;
monosaccharide derivative;
resorcinols
antioxidant;
plant metabolite
00low000000
kaempferol-3-o-rutinosidedisaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone
metabolite;
plant metabolite;
radical scavenger
00low000000
luteolin 4'-o-glucosidebeta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
plant metabolite00low000000
methyl linolenatefatty acid methyl esterinsect attractant;
plant metabolite
00low000000
3'-o-methylorobolhydroxyisoflavone;
methoxyisoflavone
plant metabolite00low000000
1,3,6-trihydroxy-2-methyl-9,10-anthraquinonetrihydroxyanthraquinoneplant metabolite00low000000
cudraflavone ctetrahydroxyflavoneantibacterial agent;
antineoplastic agent;
plant metabolite
00low000000
muromonab-cd3extended flavonoid;
pyranochromane;
trihydroxyflavone
anti-inflammatory agent;
plant metabolite
00low000000
neobavaisoflavone7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
00low000000
neoglycyrolaromatic ether;
coumestans;
delta-lactone;
polyphenol
antineoplastic agent;
plant metabolite
00low000000
beta-ocimenebeta-ocimeneplant metabolite00low000000
ombuinedimethoxyflavone;
flavonols;
trihydroxyflavone
anti-inflammatory agent;
plant metabolite
00low000000
osthenolhydroxycoumarinantifungal agent;
plant metabolite
00low000000
5,7-dihydroxy-4',6-dimethoxyflavonedihydroxyflavone;
dimethoxyflavone
plant metabolite00low000000
tilirosidecinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
plant metabolite00low000000
spiraeosidebeta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
plant metabolite
00low000000
rhamnazinaromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone
antineoplastic agent;
plant metabolite
00low000000
kaempferol-7-methyl etherflavonols;
monomethoxyflavone;
trihydroxyflavone
plant metabolite00low000000
oridonincyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol
angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
7,8-dimethylalloxazine7,8-dimethylbenzo[g]pteridine-2,4-dioneplant metabolite00low000000
ergothioneine1,3-dihydroimidazole-2-thiones;
amino-acid betaine;
L-histidine derivative;
sulfur-containing amino acid
antioxidant;
chelator;
fungal metabolite;
plant metabolite;
xenobiotic metabolite
00low000000
ermanindihydroxyflavone;
dimethoxyflavone
anti-inflammatory agent;
antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
5-hydroxy-3,3',4',7-tetramethoxyflavone3'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone
plant metabolite00low000000
methyl 2,5-dihydroxycinnamatecinnamate ester;
hydroquinones;
methyl ester
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
geroprotector;
human urinary metabolite;
plant metabolite
00low000000
methyl ferulatecinnamate ester;
guaiacols;
methyl ester
plant metabolite00low000000
lichexanthonearomatic ether;
phenols;
xanthones
plant metabolite00low000000
glyceryl behenate1-monoglyceride;
fatty acid ester
antineoplastic agent;
plant metabolite
00low000000
ethyl oleatelong-chain fatty acid ethyl esteracaricide;
plant metabolite
00low000000
2-pentenal2-pentenalplant metabolite00low000000
erucyl amide13-docosenamideEC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite;
mammalian metabolite;
plant metabolite;
rat metabolite
00low000000
beta-damascenoneapo carotenoid monoterpenoid;
cyclic monoterpene ketone;
enone
fragrance;
plant metabolite;
volatile oil component
00low000000
piperic acidalpha,beta-unsaturated monocarboxylic acid;
benzodioxoles
plant metabolite00low000000
pipercallosidinealkaloid;
benzodioxoles;
enamide;
secondary carboxamide
apoptosis inducer;
metabolite;
plant metabolite
00low000000
dehydrodiconiferyl alcohol1-benzofurans;
guaiacols;
guaiacyl lignin;
primary alcohol
anti-inflammatory agent;
plant metabolite
00low000000
noreugeninchromones;
resorcinols
plant metabolite00low000000
decussatinaromatic ether;
phenols;
xanthones
plant metabolite00low000000
ecdysterone14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid
animal metabolite;
plant metabolite
1988198836.0low010000
beta-aminopropionitrile fumarate (2:1)fumarate saltantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
00low000000
gamma-mangostinphenols;
xanthones
antineoplastic agent;
plant metabolite;
protein kinase inhibitor
00low000000
irigenin4'-methoxyisoflavones;
hydroxyisoflavone
plant metabolite00low000000
5,4'-dihydroxy-7,3'-dimethoxyflavonedihydroxyflavone;
dimethoxyflavone
anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
00low000000
1,7-dihydroxy-4-methoxyxanthonearomatic ether;
phenols;
xanthones
metabolite;
plant metabolite
00low000000
tetrahydroxycurcuminbeta-diketone;
catechols;
diarylheptanoid;
enone;
polyphenol
anti-inflammatory agent;
neuroprotective agent;
plant metabolite
00low000000
zerumbonecyclic ketone;
sesquiterpenoid
anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
00low000000
solanesolnonaprenol;
primary alcohol
plant metabolite00low000000
semilicoisoflavone b7-hydroxyisoflavonesEC 1.1.1.21 (aldehyde reductase) inhibitor;
plant metabolite
00low000000
lespenefrilalpha-L-rhamnoside;
dihydroxyflavone;
glycosyloxyflavone;
monosaccharide derivative;
polyphenol
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
hypoglycemic agent;
immunomodulator;
plant metabolite
00low000000
quercetin 3-sambubiosidedisaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antioxidant;
plant metabolite
00low000000
baohuoside iglycosyloxyflavoneanti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
avicularinalpha-L-arabinofuranoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
00low000000
ochnaflavonearomatic ether;
biflavonoid;
hydroxyflavone
anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite
00low000000
isowighteone7-hydroxyisoflavonesplant metabolite00low000000
trioleintriglycerideCaenorhabditis elegans metabolite;
plant metabolite
1964202126.1low033341
resiniferatoxincarboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone
analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
00low000000
lyonisidebeta-D-glucoside;
monosaccharide derivative;
steroid saponin
plant metabolite00low000000
4-hydroxycordoinaromatic ether;
chalcones;
polyphenol
anti-inflammatory agent;
antibacterial agent;
plant metabolite
00low000000
n-feruloylserotoninaromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide
plant metabolite00low000000
zosteric acidaryl sulfate;
cinnamic acids
antifouling biocide;
plant metabolite
00low000000
eupomatenoid 6benzofurans;
phenols
anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite
00low000000
amaranthin betacyanindisaccharide derivative;
indoles;
olefinic compound;
tetrahydropyridine
biological pigment;
plant metabolite
00low000000
mevalonolactone4-hydroxy-4-methyloxan-2-onefungal metabolite;
plant metabolite
00low000000
coronardinealkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
columbianadinalpha,beta-unsaturated carboxylic ester;
furanocoumarin
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
00low000000
germacronegermacrane sesquiterpenoid;
olefinic compound
androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component
00low000000
salanninacetate ester;
furans;
limonoid;
methyl ester;
organic heteropentacyclic compound
antifeedant;
insect growth regulator;
plant metabolite
00low000000
thunberginol fcatechols;
gamma-lactone;
isobenzofuranone
metabolite;
plant metabolite
00low000000
9-hydroxy-10,12,15-octadecatrienoic acid9-HOTrEplant metabolite00low000000
valerenic acidcarbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid
GABA modulator;
plant metabolite;
sedative;
volatile oil component
00low000000
zeatin riboside9-ribosylzeatin;
nucleoside analogue
cytokinin;
plant metabolite
00low000000
acuminatin1-benzofurans;
dimethoxybenzene;
neolignan;
olefinic compound;
ring assembly
fungal metabolite;
plant metabolite
00low000000
cucurbitacin I 2-O-beta-D-glucopyranosidebeta-D-glucoside;
cucurbitacin;
monosaccharide derivative;
tertiary alpha-hydroxy ketone;
triterpenoid saponin
plant metabolite00low000000
perflubron2-acyl-4-prenylphloroglucinol;
chalcones
plant metabolite00low000000
tuberonic acidcyclopentanones;
homoallylic alcohol;
oxo monocarboxylic acid;
primary alcohol
jasmonates;
plant metabolite
00low000000
salvianolic acid B1-benzofurans;
catechols;
dicarboxylic acid;
enoate ester;
polyphenol
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
autophagy inhibitor;
cardioprotective agent;
hepatoprotective agent;
hypoglycemic agent;
neuroprotective agent;
osteogenesis regulator;
plant metabolite
00low000000
trilobatinaryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative
anti-inflammatory agent;
antioxidant;
plant metabolite;
sweetening agent
00low000000
2',4',6'-trihydroxychalconechalconesantifungal agent;
plant metabolite
00low000000
beta-tocopheroltocopherol;
vitamin E
food component;
plant metabolite
2009201612.7low000210
nyasol1,3-bis(p-hydroxyphenyl)pentane-1,4-dieneplant metabolite00low000000
ginsenoside rb212beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
antiviral agent;
hypoglycemic agent;
plant metabolite
00low000000
yunaconitineacetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound
antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic
00low000000
3-tyrosinehydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols
plant metabolite00low000000
alpha-solanineglycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative
antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
00low000000
3-O-feruloyl-D-quinic acidenoate ester;
quinic acid
plant metabolite00low000000
ginsenoside f112beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
6alpha-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
apoptosis inhibitor;
plant metabolite
00low000000
capsiatecarboxylic ester;
monomethoxybenzene;
phenols
angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
00low000000
p-coumaric acid glucoside4-O-beta-D-glucosyl-4-coumaric acidplant metabolite00low000000
ginsenoside m112beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite
00low000000
nicotianamineamino acid zwitterion;
nicotianamine
chelator;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
plant metabolite
00low000000
ginsenoside rb1ginsenoside;
glycoside;
tetracyclic triterpenoid
anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
00low000000
6''-o-malonyldaidzinglycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative
plant metabolite00low000000
ginsenoside f212beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
ginsenoside rg3ginsenoside;
glycoside;
tetracyclic triterpenoid
angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
00low000000
hetacillinguaiacols;
lignan;
oxolanes;
polyphenol;
tetrol
plant metabolite00low000000
kaempferol 7-o-glucosidebeta-D-glucoside;
flavonols;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone
metabolite;
plant metabolite;
radical scavenger
00low000000
3-epi-fagomineamino monosaccharide;
hydroxypiperidine;
primary alcohol;
secondary alcohol;
secondary amino compound;
triol
EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor;
EC 3.2.1.23 (beta-galactosidase) inhibitor;
plant metabolite
00low000000
akuammicinemethyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
plant metabolite00low000000
demethylzeylasteralarenecarbaldehyde;
benzenediols;
carbopolycyclic compound;
cyclic ketone;
enone;
oxo monocarboxylic acid
anti-inflammatory agent;
EC 2.4.1.17 (glucuronosyltransferase) inhibitor;
immunosuppressive agent;
nephroprotective agent;
plant metabolite
00low000000
alpha-cadinolcadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol
fungicide;
plant metabolite;
volatile oil component
00low000000
11-hydroxysugiolabietane diterpenoid;
carbotricyclic compound;
catechols;
cyclic terpene ketone;
meroterpenoid
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
00low000000
triptohypol Cbenzenediols;
monocarboxylic acid;
pentacyclic triterpenoid
apoptosis inducer;
plant metabolite
00low000000
trilobacinbutenolide;
polyketide;
triol
antineoplastic agent;
plant metabolite
00low000000
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalconechalcones;
monomethoxybenzene;
resorcinols
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
plant metabolite
00low000000
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-onediarylheptanoid;
enone;
phenols
plant metabolite00low000000
6-deacetylnimbincyclic terpene ketone;
diester;
enone;
furans;
limonoid;
methyl ester;
tetracyclic triterpenoid
antifeedant;
insect growth regulator;
plant metabolite
00low000000
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-onediarylheptanoid;
enone;
phenols
plant metabolite00low000000
2,3-dihydro-3beta-methoxy withaferin A27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide
metabolite;
plant metabolite
00low000000
azadironeacetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid
antineoplastic agent;
antiplasmodial drug;
plant metabolite
00low000000
dihydroartemisinic acidcarbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid
plant metabolite00low000000
atractyligeninecarbotetracyclic compound;
dihydroxy monocarboxylic acid;
ent-kaurane diterpenoid;
tetracyclic diterpenoid
plant metabolite00low000000
dihydrogenistinbeta-D-glucoside;
hydroxyisoflavanone;
monosaccharide derivative
plant metabolite00low000000
n-benzylhexadecanamidemacamide;
secondary carboxamide
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
neuroprotective agent;
plant metabolite
00low000000
triphosphatealdehyde;
indole alkaloid;
organic heteropentacyclic compound
plant metabolite00low000000
aspalathinC-glycosyl compound;
catechols;
dihydrochalcones;
polyketide;
polyphenol
antioxidant;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
hypoglycemic agent;
plant metabolite
00low000000
glyceryl ferulate1-monoglyceride;
aromatic ether;
enoate ester;
phenols
antioxidant;
plant metabolite;
ultraviolet filter
00low000000
obolactone2-pyranones;
4-pyranones
antineoplastic agent;
plant metabolite
00low000000
quinineAspidosperma alkaloid;
epoxide;
methyl ester;
monoterpenoid indole alkaloid;
organic heterohexacyclic compound
plant metabolite00low000000
alpha-onocerindiol;
olefinic compound;
secondary alcohol;
triterpenoid
plant metabolite00low000000
kalopanax saponin bcarboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
plant metabolite
00low000000
ginsenoside rdbeta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary
00low000000
(+)-dehydrodiconiferyl alcoholdehydrodiconiferyl alcoholantioxidant;
plant metabolite
00low000000
viridiflorolcarbotricyclic compound;
sesquiterpenoid;
tertiary alcohol
anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component
00low000000
geduninacetate ester;
enone;
epoxide;
furans;
lactone;
limonoid;
organic heteropentacyclic compound;
pentacyclic triterpenoid
antimalarial;
antineoplastic agent;
Hsp90 inhibitor;
plant metabolite
00low000000
morelloflavonebiflavonoid;
hydroxyflavanone;
hydroxyflavone
plant metabolite00low000000
2alpha,3beta-dihydroxy-20(29)-lupen-28-oic aciddihydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite00low000000
azadiradioneacetate ester;
cyclic terpene ketone;
furans;
limonoid;
tetracyclic triterpenoid
anti-inflammatory agent;
antimycobacterial drug;
plant metabolite
00low000000
(-)-pinoresinolpinoresinolplant metabolite00low000000
oplodiolcarbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol
plant metabolite00low000000
roburic acidmonocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid
plant metabolite00low000000
ginsenoside rc12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
hypoglycemic agent;
plant metabolite
00low000000
ginsenoside rh112beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid
plant metabolite00low000000
ginsenoside rb312beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
antidepressant;
antioxidant;
cardioprotective agent;
neuroprotective agent;
NMDA receptor antagonist;
plant metabolite
00low000000
eriodictyol 7-O-beta-D-glucopyranosidebeta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone
plant metabolite;
radical scavenger
00low000000
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-onealkaloid;
chromones;
hydroxypiperidine;
resorcinols;
tertiary amino compound
anti-inflammatory agent;
anti-ulcer drug;
anticholesteremic drug;
antileishmanial agent;
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
fungal metabolite;
plant metabolite
00low000000
astragaloside IVpentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
antioxidant;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
neuroprotective agent;
plant metabolite;
pro-angiogenic agent
00low000000
1-O-feruloyl-beta-D-glucosearomatic ether;
beta-D-glucoside;
cinnamate ester;
phenols
antioxidant;
plant metabolite
00low000000
astragaloside iibeta-D-glucoside;
monosaccharide derivative;
oxolanes;
pentacyclic triterpenoid;
triterpenoid saponin
plant metabolite00low000000
ligstrosidebeta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside
antineoplastic agent;
plant metabolite
00low000000
23-hydroxyursolic aciddihydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite00low000000
dihydroconiferyl alcohol glucosidebeta-D-glucoside;
monomethoxybenzene;
monosaccharide derivative;
primary alcohol
plant metabolite00low000000
oroxylin a-7-o-glucuronidebeta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative
plant metabolite00low000000
5-deoxystrigolindenofuran;
strigolactone
plant metabolite00low000000
2,3-dihydrowithaferin A27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide
plant metabolite00low000000
vibsanin bcyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid
plant growth retardant;
plant metabolite
00low000000
malonylgenistinbeta-D-glucoside;
glycosyloxyisoflavone;
hydroxyisoflavone;
malonate ester;
monosaccharide derivative
plant metabolite00low000000
adonixanthincarotenone;
cyclic ketone;
secondary alcohol
algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite
00low000000
niga-ichigoside f1beta-D-glucoside;
monosaccharide derivative;
pentacyclic triterpenoid;
tetrol;
triterpenoid saponin
plant metabolite00low000000
cinnamtannin a2proanthocyanidinplant metabolite00low000000
benzoylaconinebenzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol
phytotoxin;
plant metabolite
00low000000
miltiradieneabietadiene;
carbotricyclic compound
plant metabolite00low000000
tricin 4'-o-(threo-beta-guaiacylglyceryl) etherdimethoxybenzene;
flavonolignan;
polyphenol;
primary alcohol;
secondary alcohol
plant metabolite00low000000
triptotriterpenic acid adiol;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite00low000000
cycloeucalenone3-oxo-5alpha-steroid;
cyclic terpene ketone;
pentacyclic triterpenoid
plant metabolite00low000000
deoxyaconitineacetate ester;
benzoate ester;
bridged compound;
diol;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary amino compound
plant metabolite00low000000
ginsenoside rg212beta-hydroxy steroid;
20-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
anticoagulant;
cardioprotective agent;
plant metabolite
00low000000
cauloside Dcarboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin
anti-inflammatory agent;
plant metabolite
00low000000
oxypaeoniflora4-hydroxybenzoate ester;
beta-D-glucoside;
bridged compound;
cyclic acetal;
lactol;
monoterpene glycoside
plant metabolite00low000000
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-onearomatic ether;
homoisoflavonoid;
polyphenol
angiogenesis modulating agent;
plant metabolite
00low000000
vindolininemethyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
plant metabolite00low000000
rubusosidebeta-D-glucoside;
bridged compound;
steviol glycoside;
tetracyclic diterpenoid
plant metabolite;
sweetening agent
00low000000
madecassosidecarboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin
anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary
00low000000
benzoylmesaconinebenzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol
analgesic;
antiinfective agent;
plant metabolite
00low000000
albiflorinbenzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol
neuroprotective agent;
plant metabolite
00low000000
6-tuliposide b6-O-acyl-D-glucose;
enoate ester
antibacterial agent;
antifungal agent;
plant metabolite
00low000000
quercetin 3-o-glucoside-7-o-rhamnosidebeta-D-glucoside;
quercetin O-glucoside;
trihydroxyflavone
plant metabolite;
trypanocidal drug
00low000000
10-nonacosanolsecondary fatty alcohol;
ultra-long-chain fatty alcohol
plant metabolite00low000000
(E)-sinapaldehyde 4-O-beta-D-glucopyranosidebeta-D-glucoside;
cinnamaldehydes;
dimethoxybenzene;
monosaccharide derivative
plant metabolite00low000000
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-onediarylheptanoid;
ketone;
phenols
plant metabolite00low000000
kurarinol4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
anti-inflammatory agent;
antioxidant;
plant metabolite
00low000000
2,3-dihydro-3beta-O-sulfate withaferin A27-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
epoxy steroid;
ergostanoid;
primary alcohol;
steroid sulfate;
withanolide
antineoplastic agent;
metabolite;
plant metabolite
00low000000
gypenoside XVII12beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
plant metabolite00low000000
euonineacetate ester;
dihydroagarofuran sesquiterpenoid;
macrolide;
pyridine alkaloid;
sesquiterpene alkaloid
immunosuppressive agent;
insecticide;
plant metabolite
00low000000
picrininealkaloid ester;
indole alkaloid;
methyl ester;
organic heteropentacyclic compound;
polycyclic ether
analgesic;
anti-asthmatic agent;
anti-inflammatory agent;
antitussive;
plant metabolite
00low000000
(20R)-ginsenoside Rg3ginsenoside;
glycoside;
tetracyclic triterpenoid
antioxidant;
plant metabolite
00low000000
epoxyazadiradioneacetate ester;
cyclic terpene ketone;
epoxide;
furans;
limonoid;
pentacyclic triterpenoid
anti-inflammatory agent;
insecticide;
plant metabolite
00low000000
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamideacetamides;
hydroxyindoles;
tryptamines
antineoplastic agent;
apoptosis inducer;
plant metabolite
00low000000
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
1964202322.0low2112228162
salicylatesmonohydroxybenzoateplant metabolite2003200321.0low000100
orobancholindenofuran;
secondary alcohol;
strigolactone
plant metabolite00low000000
oleuropein aglyconecatechols;
diester;
lactol;
methyl ester;
pyrans;
secoiridoid
anti-inflammatory agent;
antioxidant;
mTOR inhibitor;
neuroprotective agent;
plant metabolite;
TRPA1 channel agonist
00low000000
stemmadenineAspidosperma alkaloid;
methyl ester;
monoterpenoid indole alkaloid;
organic heterotetracyclic compound;
primary alcohol
plant metabolite00low000000
capilliposide balpha-L-arabinopyranoside;
bridged compound;
cyclic ether;
diol;
hexacyclic triterpenoid;
hexanoate ester;
lactol;
secondary alcohol;
tetrasaccharide derivative;
triterpenoid saponin
antineoplastic agent;
plant metabolite
00low000000
paeoniflorigenonealicyclic ketone;
benzoate ester;
bridged compound;
cyclic acetal;
lactol;
monoterpenoid
neuromuscular agent;
plant metabolite
00low000000
maysindisaccharide derivative;
flavone C-glycoside;
secondary alpha-hydroxy ketone;
tetrahydroxyflavone
insecticide;
neuroprotective agent;
plant metabolite
00low000000
cryptocaryol a2-pyranones;
pentol
plant metabolite00low000000
gypenoside LXXV12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid
plant metabolite00low000000
chrysopineamino acid opine;
carboxamide;
delta-lactone;
secondary amino compound;
spiroketal;
triol
plant metabolite00low000000
ebc-46diester;
diterpenoid;
organic heteropentacyclic compound;
phorbol ester
antineoplastic agent;
plant metabolite;
protein kinase C agonist
00low000000
wilforgineacetate ester;
dihydroagarofuran sesquiterpenoid;
furans;
macrocyclic lactone;
organic heteropentacyclic compound;
pyridine alkaloid
plant metabolite00low000000
dehydrotomatinealkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative
antifungal agent;
phytotoxin;
plant metabolite
00low000000
biliatresonearomatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols
plant metabolite;
toxin
00low000000
cyclic gmp3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1987200229.2low013200
deoxyinosinepurine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
deoxyguanosine triphosphatedeoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-triphosphate
Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
00low000000
guanosine diphosphate mannoseGDP-D-mannoseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
00low000000
arachidonic acidicosa-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
1947202325.8low3923433420517732
palmitoleic acidhexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
00low000000
eicosapentaenoic acidicosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1980202319.9low342793669314
2-keto-4-methylvalerate2-oxo monocarboxylic acid;
branched-chain keto acid
algal metabolite;
human metabolite
00low000000
phloroglucinolbenzenetriol;
phenolic donor
algal metabolite2007201214.0low000120
lactic acid2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
1982202018.7low022650
3-phosphoglyceratemonophosphoglyceric acid;
tetronic acid derivative
algal metabolite;
fundamental metabolite
00low000000
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
1964202323.2low31061094
alpha-glycerophosphoric acidglycerol monophosphatealgal metabolite;
human metabolite
00low000000
hydroxylaminehydroxylaminesalgal 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
00low000000
phosphoric acidphosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
00low000000
phosphorylethanolaminephosphoethanolamine;
primary amino compound
algal metabolite;
human metabolite;
mouse metabolite
00low000000
dimethyl sulfidealiphatic sulfidealgal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite
00low000000
tramiprosateamino sulfonic acid;
zwitterion
algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
00low000000
acetohydroxamic acidacetohydroxamic acids;
carbohydroximic acid
algal metabolite;
EC 3.5.1.5 (urease) inhibitor
00low000000
methylene bromidebromohydrocarbon;
bromomethanes
algal metabolite;
marine metabolite
00low000000
harmalolharmala alkaloidalgal metabolite;
EC 1.4.3.4 (monoamine oxidase) inhibitor
00low000000
isonicotinic acidpyridinemonocarboxylic acidalgal metabolite;
human metabolite
00low000000
serineL-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
1964202322.0low031423
sucroseglycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
1964202221.7low2561134
ornithinenon-proteinogenic L-alpha-amino acid;
ornithine
algal metabolite;
hepatoprotective agent;
mouse metabolite
2014201410.0low000010
histidineamino 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
1994201121.2low002710
valineL-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
2001202213.5low000411
methyl bromidebromohydrocarbon;
bromomethanes;
methyl halides
algal metabolite;
fumigant insecticide;
marine metabolite
00low000000
3-mercaptopropionic acidmercaptopropanoic acidalgal metabolite00low000000
pyrrolidonecarboxylic acid5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid
algal metabolite00low000000
ethylene dibromidebromoalkane;
bromohydrocarbon
algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
1993199331.0low001000
margaric acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
mammalian metabolite
00low000000
myristic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
1984202121.4low141714101
2-hydroxybutyric acid2-hydroxy monocarboxylic acid;
hydroxybutyric acid
algal metabolite;
human metabolite
00low000000
homoserineamino acid zwitterion;
homoserine
algal metabolite;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
00low000000
methylphosphatemonoalkyl phosphate;
one-carbon compound
algal metabolite;
epitope;
phosphoantigen
00low000000
glycerol 1-stearate1-acylglycerol 18:0;
rac-1-monoacylglycerol
algal metabolite;
Caenorhabditis elegans metabolite
00low000000
butyl stearatefatty acid esteralgal metabolite00low000000
beta-aminoglutaric aciddicarboxylic acidalgal metabolite;
marine metabolite
00low000000
glucuronic acidD-glucuronic acidalgal metabolite1999201514.7low001020
2-palmitoylglycerol2-acylglycerol 16:0algal metabolite00low000000
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octenemonoterpenoid;
organobromine compound;
organochlorine compound
algal metabolite;
antineoplastic agent;
marine metabolite
00low000000
prolineamino 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
1991202013.0low001250
altritolhexitolalgal metabolite;
marine metabolite
00low000000
5'-methylthioadenosinethioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
00low000000
d-2-hydroxyglutarate2-hydroxyglutaric acidalgal metabolite00low000000
docosahexaenoatedocosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
00low000000
domoic acidL-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid
algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
00low000000
docosapentaenoic aciddocosapentaenoic acid;
omega-3 fatty acid
algal metabolite;
human metabolite
00low000000
debromoaplysiatoxinaplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal
algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
00low000000
aplysiatoxinaplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal
algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
00low000000
guanine2-aminopurines;
oxopurine;
purine nucleobase
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1995200822.5low001100
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-linolenic acidlinolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
1965202325.9medium15324723194
9-hydroxy-10,12-octadecadienoic acidHODE;
octadecadienoic acid
human metabolite;
metabolite;
mouse metabolite;
plant metabolite
00low000000
arachidonic acidicosa-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
1947202325.8low3923433420517732
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
protocatechuic acidcatechols;
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
2011201212.5low000020
4-hydroxybenzaldehydehydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
1982198242.0low010000
4-hydroxybenzoic acidmonohydroxybenzoic acidalgal metabolite;
plant metabolite
1982201123.0low010110
acetic acidmonocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
2011201113.0low000010
benzaldehydebenzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
2012201212.0low000010
benzoic acidbenzoic acidsalgal 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
2011201113.0low000010
butyric acidfatty acid 4:0;
straight-chain saturated fatty acid
human urinary metabolite;
Mycoplasma genitalium metabolite
2012201212.0low000010
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
2002200222.0low000100
2-cresolcresolhuman xenobiotic metabolite1982198242.0low010000
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
1982198242.0low010000
3-methylcatecholmethylcatecholbacterial xenobiotic metabolite2010201014.0low000100
3-cresolcresolhuman xenobiotic metabolite1982198242.0low010000
gallic acidtrihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
2011201212.5low000020
octanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
antibacterial agent;
Escherichia coli metabolite;
human metabolite
1982201222.7low010110
4-aminophenolaminophenolallergen;
metabolite
1982198242.0low010000
guaiacolguaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
1982198242.0low010000
pyrrolidonecarboxylic acidoxoproline;
pyrrolidin-2-ones;
pyrrolidinemonocarboxylic acid
human metabolite2003200321.0medium000100
pipecolic acidpiperidinemonocarboxylic acid2003200321.0low000100
acetanilideacetamides;
anilide
analgesic2003200321.0low000100
4-nitrophenol4-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
1982198242.0low010000
palmitic acidlong-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
1982201917.8low010650
pentachlorophenolaromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes
human xenobiotic metabolite1982198242.0low010000
phenolphenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
1982198242.0low010000
propionic acidsaturated fatty acid;
short-chain fatty acid
antifungal drug2011201113.0low000010
pyrogallolbenzenetriol;
phenolic donor
plant metabolite2005201016.5low000200
1-anilino-8-naphthalenesulfonateaminonaphthalene;
naphthalenesulfonic acid
fluorescent probe2014201410.0low000010
4-aminobenzamidine1998199826.0low001000
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
2003200321.0low000100
7,8-dihydroxyflavonedihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
2010201014.0low000100
salophencarbonyl compound2003200321.0low000100
Acetylpheneturideorganic molecular entity2003200321.0medium000100
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
2003200321.0low000100
aminoglutethimidedicarboximide;
piperidones;
substituted aniline
adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2006200618.0low000100
4-amino-3-hydroxybutyric acid3-hydroxy monocarboxylic acid;
amino acid zwitterion;
gamma-amino acid
2003200321.0low000100
amlexanoxmonocarboxylic acid;
pyridochromene
anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
2003200321.0low000100
amlodipinedihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2003200321.0low000100
amodiaquineaminoquinoline;
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
202220222.0low000001
arecolineenoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine
metabolite;
muscarinic agonist
2003200321.0low000100
aristolochic acid iaristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound
carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
2003200321.0low000100
arotinololaromatic amide;
thiophenes
2003200321.0low000100
aspirinbenzoic 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
2005200519.0low000100
atenololethanolamines;
monocarboxylic acid amide;
propanolamine
anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
2003200321.0low000100
atrazinechloro-1,3,5-triazine;
diamino-1,3,5-triazine
environmental contaminant;
herbicide;
xenobiotic
2007200717.0low000100
benzocainebenzoate ester;
substituted aniline
allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
2003200321.0low000100
berberinealkaloid 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
202020204.0low000010
biperidenpiperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
2003200321.0low000100
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
2003200321.0low000100
verapamilaromatic ether;
nitrile;
polyether;
tertiary amino compound
2003201216.5low000110
cannabinoldibenzopyran2003200321.0low000100
carbamazepinedibenzoazepine;
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
2003200321.0low000100
carbetapentanebenzenes2003200321.0low000100
carbofuran1-benzofurans;
carbamate ester
acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide
2011201113.0low000010
carbonyl cyanide m-chlorophenyl hydrazonehydrazone;
monochlorobenzenes;
nitrile
antibacterial agent;
geroprotector;
ionophore
2012201212.0low000010
cetyl alcoholhexadecanol;
long-chain primary fatty alcohol
algal metabolite;
flavouring agent;
human metabolite;
plant metabolite
2011201710.0low000020
chloroquineaminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
202220222.0low000001
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
2012201212.0low000010
ciprofloxacinaminoquinoline;
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
2012201212.0low000010
clobazam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator
2003200321.0low000100
clonazepam1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
2003200321.0low000100
4-cresolcresolEscherichia coli metabolite;
human metabolite;
uremic toxin
1982198242.0low010000
cycloleucinenon-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor2003200321.0low000100
cyclothiazidebenzothiadiazineantihypertensive agent;
diuretic
2003200321.0low000100
decanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
1982201222.7low010110
dimethadioneoxazolidinone2003200321.0low000100
valproic acidbranched-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
2003200321.0low000100
ethosuximidedicarboximide;
pyrrolidinone
anticonvulsant;
geroprotector;
T-type calcium channel blocker
2003200321.0low000100
ethotoinimidazolidine-2,4-dioneanticonvulsant2003200321.0low000100
felbamatecarbamate esteranticonvulsant;
neuroprotective agent
2003200321.0low000100
felodipinedichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
2003200321.0low000100
fexofenadinepiperidines;
tertiary amine
anti-allergic agent;
H1-receptor antagonist
201920195.0low000010
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
2003200321.0low000100
gliclazideN-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
202020204.0low000010
glimepiridesulfonamide202020204.0low000010
glutethimidepiperidines2003200321.0low000100
guvacinealpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine
GABA reuptake inhibitor;
plant metabolite
2003200321.0low000100
halothanehaloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound
inhalation anaesthetic2000200024.0low001000
hexachlorophenebridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
1982198242.0low010000
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
2005200519.0low000100
ifosfamideifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
2003200321.0low000100
indomethacinaromatic 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
2001202017.2low000310
iproniazidcarbohydrazide;
pyridines
2003200321.0low000100
isoniazidcarbohydrazideantitubercular agent;
drug allergen
2012201212.0low000010
juglonehydroxy-1,4-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator
2011201113.0low000010
lamotrigine1,2,4-triazines;
dichlorobenzene;
primary arylamine
anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
2003200321.0low000100
lauric acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
1982201220.2low010120
letrozolenitrile;
triazoles
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
2006200618.0low000100
vitamin k 31,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
2011201113.0low000010
mephenytoinimidazolidine-2,4-dioneanticonvulsant2003200321.0low000100
metharbitalorganic molecular entity2003200321.0low000100
methyl salicylatebenzoate ester;
methyl ester;
salicylates
flavouring agent;
insect attractant;
metabolite
1982198242.0low010000
moclobemidebenzamides;
monochlorobenzenes;
morpholines
antidepressant;
environmental contaminant;
xenobiotic
2003200321.0low000100
acecainideacetamides;
benzamides
anti-arrhythmia drug2003200321.0low000100
deoxyepinephrinecatecholamine2003200321.0low000100
nicardipinebenzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
2003200321.0low000100
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
2003200321.0low000100
nimesulidearomatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2005200519.0low000100
nimetazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
2003200321.0low000100
nimodipine2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
2003200321.0low000100
nipecotic acidbeta-amino acid;
piperidinemonocarboxylic acid
2003200321.0low000100
nisoldipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
2003200321.0low000100
nitrazepam1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
2003200321.0low000100
nitrendipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
2003200321.0low000100
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamidearomatic ether;
C-nitro compound;
sulfonamide
antineoplastic agent;
cyclooxygenase 2 inhibitor
2005200519.0low000100
oxaprozin1,3-oxazoles;
monocarboxylic acid
analgesic;
non-steroidal anti-inflammatory drug
202220222.0low000001
4-chlorophenolmonochlorophenol1982198242.0low010000
phenacemideacetamides2003200321.0low000100
phenobarbitalbarbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
2003200321.0low000100
primidonepyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
2003200321.0low000100
resorcinolbenzenediol;
phenolic donor;
resorcinols
erythropoietin inhibitor;
sensitiser
1982198242.0low010000
riluzolebenzothiazoles2003201415.5low000110
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
2005200519.0low000100
stearic acidlong-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
1982201218.9low010430
sulfanilamidesubstituted aniline;
sulfonamide antibiotic;
sulfonamide
antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
2003200321.0low000100
sulthiameorganic molecular entity2003200321.0low000100
trimethadioneoxazolidinoneanticonvulsant;
geroprotector
2003200321.0low000100
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
2003200321.0low000100
zonisamide1,2-benzoxazoles;
sulfonamide
anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
2003200321.0low000100
prednisolone11beta-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
2003200321.0low000100
2-aminophenolaminophenolbacterial metabolite1982198242.0low010000
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
2003200321.0low000100
metaraminolphenylethanolaminesalpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent
2003200321.0low000100
desoxycorticosterone acetatecorticosteroid hormone2003200321.0low000100
physostigminecarbamate ester;
indole alkaloid
antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
2003200321.0low000100
2,3,4,6-tetrachlorophenoltetrachlorophenolxenobiotic metabolite1982198242.0low010000
ampicillinbeta-lactam antibiotic;
penicillin allergen;
penicillin
antibacterial drug2003200321.0low000100
bromoethanebromoalkane;
bromohydrocarbon;
volatile organic compound
alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent
2012201212.0low000010
phencyclidinebenzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
2003200321.0low000100
caramiphenbenzenes2003200321.0low000100
methsuximideorganic molecular entity2003200321.0low000100
phthalimidephthalimides2003200321.0low000100
phensuximidepyrrolidines2003200321.0low000100
amido-g-acid2003200321.0low000100
2,4,6-trichlorophenoltrichlorophenolcarcinogenic agent1982198242.0low010000
2-tert-butylphenolalkylbenzene1982198242.0low010000
2-isopropylphenolphenols1982198242.0low010000
2-nitrophenol2-nitrophenols1982198242.0low010000
picric acidC-nitro compoundantiseptic drug;
explosive;
fixative
1982198242.0low010000
thymolmonoterpenoid;
phenols
volatile oil component1982198242.0low010000
2-ethylphenolphenols1982198242.0medium010000
salicylaldehydehydroxybenzaldehydenematicide;
plant metabolite
1982198242.0low010000
2-phenylphenolhydroxybiphenylsantifungal agrochemical;
environmental food contaminant
1982198242.0low010000
4-phenylphenolhydroxybiphenyls1982198242.0low010000
veratric acidbenzoic acidsallergen;
plant metabolite
2011201113.0low000010
acetyleugenolbenzoate ester;
phenols
2005200519.0low000100
2-chlorophenol2-halophenol;
monochlorophenol
1982198242.0low010000
2,4,5-trichlorophenoltrichlorophenol1982198242.0low010000
butylphenphenolsallergen1982198242.0low010000
methylparabenparabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
1982198242.0low010000
4-isopropylphenolphenolsflavouring agent1982198242.0low010000
4-anisic acidmethoxybenzoic acidplant metabolite2011201113.0low000010
anisolemonomethoxybenzeneplant metabolite2012201212.0low000010
cyclopentaminesecondary amino compound2003200321.0medium000100
caprolactamcaprolactamshuman blood serum metabolite2003200321.0low000100
4-bromophenolbromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
1982198242.0low010000
heptanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite1982198242.0medium010000
pelargonic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
1982201028.0low010100
n-decyl alcoholdecanol;
primary alcohol
metabolite;
pheromone;
protic solvent
201720177.0low000010
undecanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
antifungal agent;
human metabolite
1982201028.0low010100
dodecanoldodecanol;
primary alcohol
bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
201720177.0low000010
myristyl alcohollong-chain primary fatty alcohol;
tetradecanol
pheromone;
plant metabolite;
volatile oil component
201720177.0low000010
behenic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite2010201014.0low000100
mephobarbitalbarbituratesanticonvulsant2003200321.0low000100
paramethadioneoxazolidinoneanticonvulsant2003200321.0low000100
3,4,5-trimethoxybenzoic acidbenzoic acids;
methoxybenzenes
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
2011201113.0low000010
2,4-dichlorophenoldichlorophenol1982198242.0low010000
cyclopentanonecyclopentanonesMaillard reaction product2003200321.0low000100
vanillic acidmethoxybenzoic acid;
monohydroxybenzoic acid
plant metabolite2010201213.0low000110
hexanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
human metabolite;
plant metabolite
2011201212.5low000020
catechincatechinantioxidant;
plant metabolite
2005201016.5low000200
benactyzinediarylmethane2003200321.0low000100
2,5-dinitrophenoldinitrophenol1982198242.0medium010000
phetharbitalbarbiturates2003200321.0medium000100
prenylaminediarylmethane2003200321.0low000100
imperatorinpsoralensEC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite
2011201113.0low000010
carvacrolbotanical anti-fungal agent;
p-menthane monoterpenoid;
phenols
agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
2005200519.0low000100
beclamidebenzenes2003200321.0low000100
phloretic acidhydroxy monocarboxylic acidplant metabolite2010201014.0low000100
orcinol5-alkylresorcinol;
dihydroxytoluene
Aspergillus metabolite1982198242.0low010000
margaric acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
mammalian metabolite
2010201014.0low000100
arachidic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite2010201014.0low000100
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite2005200519.0low000100
2,4,6-trimethylphenolhydroxytoluene1982198242.0low010000
herniarincoumarinsfluorochrome2010201014.0low000100
chlormethiazolethiazoles2003200321.0low000100
glybuthiazolbenzenes;
sulfonamide
2003200321.0medium000100
myristic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
1982201220.6low010620
3-nitrophenol3-nitrophenols1982198242.0low010000
lignoceric acidstraight-chain saturated fatty acid;
very long-chain fatty acid
Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
2010201014.0low000100
3-aminophenolaminophenol1982198242.0low010000
Berberine chloride (TN)organic molecular entity2012201212.0low000010
tridecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite1982201028.0high010100
nonadecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
fungal metabolite2010201014.0low000100
2-(2'-hydroxyphenyl)benzoxazole1,3-benzoxazoles;
phenols
geroprotector2013201311.0low000010
pentadecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite
2001200620.5low000200
ethambutolethanolamines;
ethylenediamine derivative
antitubercular agent;
environmental contaminant;
xenobiotic
2012201212.0low000010
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
2007201016.0low000300
2-tert-butylhydroquinonehydroquinonesfood antioxidant2010201014.0low000100
mentholp-menthan-3-olantipruritic drug;
antispasmodic drug;
antitussive
2005200519.0low000100
heneicosanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
2010201014.0medium000100
tricosanoic acidstraight-chain saturated fatty acid;
very long-chain fatty acid
Daphnia magna metabolite;
human metabolite;
plant metabolite
2010201014.0low000100
pronarconbarbiturates2003200321.0low000100
improsanorganosulfonic ester2003200321.0low000100
iproclozidearomatic ether2003200321.0medium000100
aminopentamidediarylmethane2003200321.0medium000100
sodium selenateinorganic sodium saltanticonvulsant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
fertilizer
2007200717.0low000100
tomatinealkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative
antifungal agent;
immunological adjuvant;
phytotoxin
2002200222.0low000100
benomylaromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
2003200321.0low000100
alclofenacaromatic ether;
monocarboxylic acid;
monochlorobenzenes
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2003200321.0medium000100
4-ethylphenolphenolsfungal xenobiotic metabolite1982198242.0low010000
4-anisaldehydebenzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
2012201212.0low000010
butylated hydroxytoluenephenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
2010201014.0low000100
carticainethiophenecarboxylic acid2003200321.0low000100
amoscanateC-nitro compound;
isothiocyanate;
secondary amino compound
schistosomicide drug2003200321.0low000100
amoxicillinpenicillin allergen;
penicillin
antibacterial drug2003200321.0low000100
eterobarbbarbiturates2003200321.0low000100
adinazolamtriazolobenzodiazepineanticonvulsant;
antidepressant;
anxiolytic drug;
sedative
2003200321.0low000100
diltiazem5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
2003200321.0low000100
progabidediarylmethane2003200321.0low000100
lidamidineureas2003200321.0low000100
acifran2003200321.0low000100
simvastatindelta-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
202220222.0low000001
tiagabinebeta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
2003200321.0low000100
adenosineadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
2003200321.0low000100
octyl gallategallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
202020204.0low000010
d-lactic acid2-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
2003200321.0low000100
4-vinylphenolphenolshuman urinary metabolite;
human xenobiotic metabolite
2002200222.0low000100
heptenophosorganochlorine compound;
organophosphate insecticide;
trialkyl phosphate
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
2003200321.0low000100
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
2010201014.0low000100
baicalindihydroxyflavone;
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
2012201212.0low000010
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent2002200222.0low000100
epigallocatechin gallateflavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
2005200519.0low000100
alpha-terthienylterthiophene2011201113.0low000010
gallocatecholgallocatechinantioxidant;
metabolite;
radical scavenger
2005200519.0low000100
rutecarpinebeta-carbolines2005200519.0low000100
trihexyphenidyl hydrochloridearalkylamine2003200321.0low000100
g 29505methoxybenzenes2003200321.0low000100
pinocembrin(2S)-flavan-4-one;
dihydroxyflavanone
antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
2012201212.0low000010
chavicolphenols;
phenylpropanoid
2002200222.0low000100
acefyllineoxopurine2003200321.0low000100
2-hydroxychavicol2002200222.0low000100
dipropylacetamidefatty amidegeroprotector;
metabolite;
teratogenic agent
2003200321.0low000100
aceclofenacamino 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
2003200321.0low000100
amphotalidephthalimides2003200321.0medium000100
fluoresonesulfonamide2003200321.0medium000100
alaceprildipeptide;
thioacetate ester
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2003200321.0low000100
avarol2005200519.0low000100
epicatechincatechin;
polyphenol
antioxidant2005201016.5low000200
tetrahydropalmatinean (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound
adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
2012201212.0low000010
alantolactonenaphthofuran;
olefinic compound;
sesquiterpene lactone
antineoplastic agent;
apoptosis inducer;
plant metabolite
2012201212.0low000010
(-)-catechincatechinmetabolite2010201014.0low000100
isoalantolactoneeudesmane sesquiterpenoid;
sesquiterpene lactone
antifungal agent;
apoptosis inducer;
plant metabolite
2012201212.0low000010
fangchinolinearomatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle
anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
2005200519.0low000100
agroclavineergot alkaloid2003200321.0low000100
tryptanthrinealkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
2005200519.0low000100
n-(hydroxymethyl)nicotinamidepyridinecarboxamide2003200321.0low000100
4'-methoxyflavoneether;
flavonoids
2010201014.0low000100
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
2003200321.0low000100
5-chloroindole202220222.0medium000001
n-acetyltyrosine, (dl)-isomerN-acetyl-amino acid;
phenols;
tyrosine derivative
human urinary metabolite201620168.0low000010
aucubinorganic molecular entitymetabolite2012201212.0low000010
catalpolorganic molecular entitymetabolite2012201212.0low000010
rac-glycerol 1-monodecanoaterac-1-monoacylglycerol2011201113.0low000010
7-chloro-4-aminoquinolineaminoquinoline202220222.0low000001
epicatechin gallatecatechin;
gallate ester;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
2010201014.0low000100
triptolidediterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound
antispermatogenic agent;
plant metabolite
2005200519.0low000100
parthenolidegermacranolide2005200519.0low000100
parecoxibisoxazoles;
N-sulfonylcarboxamide
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
202220222.0low000001
medica 16alpha,omega-dicarboxylic acidantilipemic drug;
EC 2.3.3.8 (ATP citrate synthase) inhibitor;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
G-protein-coupled receptor agonist;
hypoglycemic agent
2003200321.0low000100
cyanidin5-hydroxyanthocyanidinantioxidant;
metabolite;
neuroprotective agent
2005200519.0low000100
prolineamino 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
2003200321.0low000100
camphoracamphor2003201017.5low000200
rhodiolosideglycoside2005200519.0low000100
tevenelsulfonamide2003200321.0medium000100
dihydrosterculic acid2003200321.0low000100
fluoracizinephenothiazines2003200321.0low000100
dihydroguaiaretic acid2002200222.0low000100
anacardic acidhydroxy monocarboxylic acid;
hydroxybenzoic acid
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
2013201311.0low000010
farglitazar2004200420.0low000100
3-n-butyl-4,5-dihydrophthalide2002200222.0low000100
4'-o-methylepigallocatechincatechinmetabolite2005200519.0medium000100
scutellaringlucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone
antineoplastic agent;
proteasome inhibitor
2012201212.0low000010
ergolideacetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone
anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite
2005200519.0medium000100
cirsimaritindihydroxyflavone;
dimethoxyflavone
2005200519.0low000100
(-)-gallocatechin gallatecatechin;
gallate ester;
polyphenol
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human xenobiotic metabolite;
plant metabolite
2010201014.0low000100
tenulinsesquiterpene lactone2005200519.0low000100
methyl 3,4-dihydroxybenzoatecatechols;
methyl ester
antioxidant;
neuroprotective agent;
plant metabolite
2011201113.0low000010
jatrorrhizine chloride2012201212.0medium000010
ritonavir1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
2003200321.0low000100
naringenin(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
2005200519.0low000100
cholesteryl glucosidemonosaccharide derivative;
sterol 3-beta-D-glucoside
2010201014.0low000100
arbutinbeta-D-glucoside;
monosaccharide derivative
Escherichia coli metabolite;
plant metabolite
2003200321.0low000100
epiafzelechincatechinplant metabolite2005200519.0low000100
e-z cinnamic acidcinnamic acidplant metabolite2012201212.0low000010
arachidonic acidicosa-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
1998202214.9low002631
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
2005200519.0low000100
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
2007200717.0low000100
docosahexaenoatedocosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
2000202214.9high001531
palmitoleic acidhexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
1998201714.5low001120
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
1982202216.0low0111181
ferulic acidferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
2010201213.0low000110
(3R,5S)-fluvastatin(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid;
statin (synthetic)
202220222.0low000001
eicosapentaenoic acidicosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1998201917.0low001320
lycopeneacyclic caroteneantioxidant;
plant metabolite
2010201014.0low000100
kazinol b2005200519.0low000100
methyl indole-3-carboxylateindoles;
methyl ester
metabolite202220222.0medium000001
cinnamaldehyde3-phenylprop-2-enal;
cinnamaldehydes
antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
2005201215.5low000110
trans-4-coumaric acid4-coumaric acidfood component;
mouse metabolite;
plant metabolite
2010201213.0low000110
Methylenedioxycinnamic acidhydroxycinnamic acid2010201014.0medium000100
cannabidiololefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
2003200321.0low000100
cinromidecinnamamides;
secondary carboxamide
2003200321.0low000100
caffeic acidcaffeic acidgeroprotector;
mouse metabolite
2010201213.0low000120
isoferulic acidferulic acidsantioxidant;
biomarker;
metabolite
2012201212.0low000010
flunarizinediarylmethane2003200321.0low000100
benztropinediarylmethane2003200321.0low000100
capsaicincapsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
2005200519.0low000100
chlorogenic acidcinnamate ester;
tannin
food component;
plant metabolite
2010201014.0low000100
albutoinorganonitrogen compound;
organooxygen compound
2003200321.0medium000100
adrafinildiarylmethane2003200321.0low000100
fraxetinaromatic ether;
hydroxycoumarin
anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent
2005200519.0low000100
quercetin7-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
2005201214.5low000220
coniferinaromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative
plant metabolite2005200519.0low000100
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2010201014.0low000100
formononetin4'-methoxyisoflavones;
7-hydroxyisoflavones
phytoestrogen;
plant metabolite
2010201014.0low000100
acacetindihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant metabolite
2010201014.0low000100
apigenintrihydroxyflavoneantineoplastic agent;
metabolite
2005201016.5low000200
luteolin3'-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
2005201016.5low000200
quercitrinalpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
2010201014.0low000100
beta carotenecarotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
2007201015.5low000200
daphnetinhydroxycoumarin2005200519.0low000100
8,11,14-eicosatrienoic acidfatty acid 20:3;
long-chain fatty acid
fungal metabolite;
human metabolite;
nutraceutical
1998201915.5low001010
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
202220222.0low000001
15-hydroxy-5,8,11,13-eicosatetraenoic acid(5Z,8Z,11Z,13E)-15-HETEhuman metabolite;
mouse metabolite
2009200915.0medium000100
vitamin d 2hydroxy seco-steroid;
seco-ergostane;
vitamin D
bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
2007200717.0low000100
quercetin 3-o-glucopyranosidebeta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone
antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
2005200519.0low000100
rutindisaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone
antioxidant;
metabolite
2011201212.5low000020
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
2005201215.5low000110
gamma-linolenic acidlinolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
1998199826.0low001000
alpha-linolenic acidlinolenic acid;
omega-3 fatty acid
micronutrient;
mouse metabolite;
nutraceutical
1982201918.6low011940
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2005201016.5low000200
erucic aciddocosenoic acid201020199.5low000110
nervonic acidtetracosenoic acid2010201014.0low000100
genistin7-hydroxyisoflavones 7-O-beta-D-glucoside2010201014.0low000100
esculetinhydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
2005200519.0low000100
costunolidegermacranolide;
heterobicyclic compound
anthelminthic drug;
antiinfective agent;
antineoplastic agent;
antiparasitic agent;
antiviral drug;
metabolite
2005201215.5medium000110
baicaleintrihydroxyflavoneangiogenesis 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
2012201212.0low000010
chrysin7-hydroxyflavonol;
dihydroxyflavone
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
2010201014.0low000100
galangin7-hydroxyflavonol;
trihydroxyflavone
antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
2005200519.0low000100
morusinextended flavonoid;
trihydroxyflavone
antineoplastic agent;
plant metabolite
2005200519.0low000100
patuletinflavonols;
monomethoxyflavone;
pentahydroxyflavone
analgesic;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
metabolite
2011201113.0low000010
wogonindihydroxyflavone;
monomethoxyflavone
angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
2005201215.5low000110
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
2010201014.0low000100
Pinosylvin methyl etherstilbenoid2002200222.0low000100
caffeic acid phenethyl esteralkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
2005202011.0low000120
rosmarinic acidrosmarinic acidgeroprotector;
plant metabolite
2005200519.0low000100
ginkgolic acidhydroxybenzoic acid1998199826.0low001000
prostaglandin a1prostaglandins A202220222.0low000001
anandamideendocannabinoid;
N-acylethanolamine 20:4
human blood serum metabolite;
neurotransmitter;
vasodilator agent
201920195.0low000010
rhoifolindihydroxyflavone;
glycosyloxyflavone;
neohesperidoside
metabolite2005200519.0low000100
gemeprostaliphatic alcohol2003200321.0low000100
homo-gamma-linolenylethanolamideN-acylethanolamine 20:3201920195.0low000010
pitavastatincyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)
antioxidant202220222.0low000001
oleylamideprimary fatty amidehuman metabolite;
plant metabolite
2004200420.0low000100
linoleoyl ethanolamideN-acylethanolamine 18:2EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor201920195.0low000010
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamineendocannabinoid;
N-acylethanolamine 22:6
201920195.0low000010
n-oleoylethanolamineendocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
201920195.0low000010
topiramatecyclic ketal;
ketohexose derivative;
sulfamate ester
anticonvulsant;
sodium channel blocker
2003200321.0low000100
lysophosphatidylcholines1-O-acyl-sn-glycero-3-phosphocholine2000200024.0low001000
11,14,17-eicosatrienoatefatty acid 20:3;
omega-3 fatty acid
1998199826.0low001000
bisdemethoxycurcuminbeta-diketone;
diarylheptanoid;
enone;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
2010201014.0low000100
syringinbeta-D-glucoside;
dimethoxybenzene;
monosaccharide derivative;
primary alcohol
hepatoprotective agent;
plant metabolite
2005200519.0low000100
MeJAJasmonate derivatives202020204.0medium000010
methyl linolenatefatty acid methyl esterinsect attractant;
plant metabolite
2010201014.0low000100
osthenolhydroxycoumarinantifungal agent;
plant metabolite
2005200519.0low000100
angiotensin amide2005200519.0medium000100
tazettineindole alkaloid fundamental parent;
indole alkaloid
202020204.0low000010
furazolidone2003200321.0low000100
ag 302014201410.0medium000010
5-hydroxy-3,3',4',7-tetramethoxyflavone3'-methoxyflavones;
monohydroxyflavone;
tetramethoxyflavone
plant metabolite2010201014.0low000100
oleoylanilideanilide;
fatty amide
2004200420.0low000100
methyl oleatefatty acid methyl ester2011201113.0low000010
zr-512ethyl ester;
farnesane sesquiterpenoid
juvenile hormone mimic2003200321.0low000100
ajoenesulfoxide2005200519.0low000100
gamma-mangostinphenols;
xanthones
antineoplastic agent;
plant metabolite;
protein kinase inhibitor
2005200519.0low000100
narcissin flavonoldisaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
trihydroxyflavone
2012201212.0low000010
myricetin 3-o-glucuronidemonosaccharide derivative;
myricetin O-glucuronide;
pentahydroxyflavone
metabolite2005200519.0medium000100
docosapentaenoic aciddocosapentaenoic acid;
omega-3 fatty acid
algal metabolite;
human metabolite
2006200618.0low000100
monordencyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols
antifungal agent;
metabolite;
tyrosine kinase inhibitor
2005200519.0low000100
linoleamideprimary fatty amidehuman metabolite2004200420.0low000100
columbianadinalpha,beta-unsaturated carboxylic ester;
furanocoumarin
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
hepatoprotective agent;
plant metabolite;
rat metabolite
2012201212.0low000010
eicosa-11,14-dienoic acid, (z,z)-isomericosadienoic acidmetabolite1998199826.0medium001000
(2E,4E)-N-isobutyl-2,4-dodecadienamidefatty amidemetabolite2009200915.0medium000100
4,7,10,13,16,19-docosahexaenoic acid dopamine conjugate201920195.0medium000010
alpha-cyperone2012201212.0low000010
stigmasterol 3-o-beta-d-glucopyranosidebeta-D-glucoside;
monosaccharide derivative;
phytosterols;
steroid saponin
metabolite2011201113.0low000010
nidroxyzoneC-nitro compound;
furans
2003200321.0medium000100
azimilideimidazolidine-2,4-dione2003200321.0low000100
fr2369242003200321.0medium000100
hirsutanonol2005200519.0medium000100
gw9508aromatic amine2006200618.0low000100
gw11002006200618.0low000100
scopolamine hydrobromide2003200321.0low000100
oregonindiarylheptanoid2005200519.0low000100
bms 309403201620168.0low000010
quercetin2010201014.0low000100
buparlisibaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
202020204.0low000010
tak-875biphenyls201820195.5low000020
catechin2010201014.0medium000100
kuraridin2005200519.0low000100
gnaphalin2005200519.0medium000100
phillyrin2005200519.0low000100
peoniflorin2012201212.0medium000010
dinaciclibpyrazolopyrimidine202020204.0low000010
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
2007201016.0low000300
imidaclopridimidacloprid;
imidazolidines;
monochloropyridine
environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
2003200321.0low000100
rifampincyclic 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
2012201212.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
dinitrochlorobenzeneC-nitro compound;
monochlorobenzenes
allergen;
epitope;
sensitiser
1999200621.5low001100
protocatechuic acidcatechols;
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
1999201518.7low001110
3-chloroalaninechloroalanine;
non-proteinogenic alpha-amino acid;
organochlorine compound
1993199331.0low001000
acetoacetic acid3-oxo fatty acid;
ketone body
metabolite1964200838.0low010100
gamma-aminobutyric acidamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
1996202315.2low002121
4-hydroxybenzoic acidmonohydroxybenzoic acidalgal metabolite;
plant metabolite
2012201212.0low000010
aminolevulinic acid4-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
202220222.0low000001
5-hydroxytryptophanhydroxytryptophanhuman metabolite;
neurotransmitter
202320231.0low000001
ethylene glycolethanediol;
glycol
metabolite;
mouse metabolite;
solvent;
toxin
1988200426.0low010200
acetic acidmonocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
1985202122.2low030421
acetaldehydealdehydecarcinogenic 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
1990201421.0low002210
acetoneketone body;
methyl ketone;
propanones;
volatile organic compound
EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
1993202216.3low004461
adenine6-aminopurines;
purine nucleobase
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1963201726.8low012020
adipic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
food acidity regulator;
human xenobiotic metabolite
1964196460.0low010000
agmatineguanidines;
primary amino compound
Escherichia coli metabolite;
mouse metabolite
1987198737.0low010000
ammonium hydroxideazane;
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
2004200818.0low000200
quinacrineacridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
1988199930.5low011000
beta-alanineamino acid zwitterion;
beta-amino acid
agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
1993199331.0low001000
benzaldehydebenzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
2014201410.0low000010
benzenearomatic annulene;
benzenes;
volatile organic compound
carcinogenic agent;
environmental contaminant;
non-polar solvent
2004201912.5low000110
benzoic acidbenzoic acidsalgal 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
201520159.0low000010
benzyl alcoholbenzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
1982198242.0low010000
betaineamino-acid betaine;
glycine derivative
fundamental metabolite1998200522.5low001100
1-butanolalkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol
human metabolite;
mouse metabolite;
protic solvent
1999202311.4low001121
butyric acidfatty acid 4:0;
straight-chain saturated fatty acid
human urinary metabolite;
Mycoplasma genitalium metabolite
1988202218.8low012011
carbamatesamino-acid anion2000201019.0low001100
carbon monoxidecarbon 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
2006200618.0low000100
formic acidmonocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
1997201617.5low001010
carnitineamino-acid betainehuman metabolite;
mouse metabolite
1981202222.9low033311
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
1963200142.0low010100
methanealkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound
bacterial metabolite;
fossil fuel;
greenhouse gas
1964202320.3low121241
cholinecholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
1963202033.8low061030
citric acid, anhydroustricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
2002202212.0low000522
chlorinehalide anion;
monoatomic chlorine
cofactor;
Escherichia coli metabolite;
human metabolite
1985200131.5low012100
hydrochloric acidchlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride
mouse metabolite2002200222.0low000100
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
2000202212.2low101331
salicylic acidmonohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
1982202215.6low111331
octanealkanexenobiotic1996199827.0low002000
phloroglucinolbenzenetriol;
phenolic donor
algal metabolite2007201214.0low000120
gallic acidtrihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
2002202013.2low000680
octanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
antibacterial agent;
Escherichia coli metabolite;
human metabolite
1986201421.6low024650
dihydrolipoic acidthio-fatty acidantioxidant;
human metabolite;
neuroprotective agent
2003200321.0low000100
3-hydroxybutyric acid(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid
human metabolite1998202114.0low002442
guaiacolguaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
202220222.0low000001
methylmalonic acidC4-dicarboxylic acidhuman metabolite1985199733.0low011000
malic acid2-hydroxydicarboxylic acid;
C4-dicarboxylic acid
food acidity regulator;
fundamental metabolite
2008201711.7low000120
3,4-dihydroxyphenylacetic acidcatechols;
dihydroxyphenylacetic acid
human metabolite2011201113.0low000010
fosmidomycinhydroxamic acid;
phosphonic acids
antimicrobial agent;
bacterial metabolite;
EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor
2003200321.0low000100
creatineglycine derivative;
guanidines;
zwitterion
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
2007201811.5low000110
lactic acid2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
1982202018.7low022650
diacetylalpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite
2004200420.0low000100
dimethyl sulfoxidesulfoxide;
volatile organic compound
alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
1985202220.3low014121
ethanolamineethanolamines;
primary alcohol;
primary amine
Escherichia coli metabolite;
human metabolite;
mouse metabolite
1964199839.8low031000
formaldehydealdehyde;
one-carbon compound
allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1990200029.0low003000
glycinealpha-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
1995202212.5low001212
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
1964202323.6low31061084
glycerolalditol;
triol
algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
1964202323.2low31061094
alpha-glycerophosphoric acidglycerol monophosphatealgal metabolite;
human metabolite
1984199036.7low021000
glycolic acid2-hydroxy monocarboxylic acid;
primary alcohol
keratolytic drug;
metabolite
201720177.0low100010
hydrogen carbonatecarbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1964198350.5low020000
histaminearalkylamino compound;
imidazoles
human metabolite;
mouse metabolite;
neurotransmitter
1987200131.0low112100
thiocyanic acidhydracid;
one-carbon compound;
organosulfur compound
Escherichia coli metabolite2001200222.5low000200
hydrogenelemental hydrogen;
elemental molecule;
gas molecular entity
antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
1993202016.7low005980
hydroquinonebenzenediol;
hydroquinones
antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
2013201311.0low000010
imidazoleimidazole2003200321.0low000100
indoleindole;
polycyclic heteroarene
Escherichia coli metabolite201420159.7low000030
indoleacetic acidindole-3-acetic acids;
monocarboxylic acid
auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
2000201716.0low102020
iodinediatomic iodinenutrient1984202219.0low010401
dihydroxyphenylalaninehydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative
human metabolite1989199830.5low011000
kynureninearomatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline
human metabolite201820224.0low000011
lipoamidedithiolanes;
monocarboxylic acid amide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
201520206.3low000030
thioctic aciddithiolanes;
heterocyclic fatty acid;
thia fatty acid
fundamental metabolite;
geroprotector
2003201118.2low000310
methanolalkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound
amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
1984202218.6low0181571
methanolalkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound
amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
1984202317.9low0181682
phytic acidinositol phosphate2003201712.2low000130
inositolcyclitol;
hexol
1965200533.5low012100
melatoninacetamides;
tryptamines
anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
1999202118.9low0041211
croton oilN-acyl-hexosamine2012201212.0low000010
naphthalenenaphthalenes;
ortho-fused bicyclic arene
apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
2007200717.0low000100
nickelmetal allergen;
nickel group element atom
epitope;
micronutrient
2003202211.6low000311
niacinamidepyridine 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
1964202321.0low211012
niacinpyridine 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
1963201435.2low042120
niacinpyridine 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
1963201434.8low043120
nitratesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
1999202014.2low001130
nitroxylnitrogen oxoacid2005200718.0low000300
nitritesmonovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
human metabolite2000201517.2low001220
hydroxide ionoxygen hydridemouse metabolite1999201119.0low001010
orotic acidpyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
1963200440.5low010100
oxaloacetic acidC4-dicarboxylic acid;
oxo dicarboxylic acid
geroprotector;
metabolite
2012201212.0low000010
4-aminobenzoic acidaminobenzoic acid;
aromatic amino-acid zwitterion
allergen;
Escherichia coli metabolite;
plant metabolite
1963196361.0low010000
palmitic acidlong-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
1962202327.7low1414012110812015
phenanthreneortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes
environmental contaminant;
mouse metabolite
1998200224.0low001100
phenolphenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
2005202013.1low000740
phenylpyruvic acid2-oxo monocarboxylic acidchromogenic compound;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
fundamental metabolite
202120213.0low000001
phenylacetaldehydealpha-CH2-containing aldehyde;
phenylacetaldehydes
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2008201413.0low000110
phenethylaminealkaloid;
aralkylamine;
phenylethylamine
Escherichia coli metabolite;
human metabolite;
mouse metabolite
201820186.0low000010
phosphorylcholinephosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite
2001200820.3low000300
pqq cofactororthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid
anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)
1995199529.0low001000
propylene glycolglycol;
propane-1,2-diols
allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
2003200918.7low000300
1-propanolpropan-1-ols;
short-chain primary fatty alcohol
metabolite;
protic solvent
1986198638.0low010000
propionic acidsaturated fatty acid;
short-chain fatty acid
antifungal drug2002201617.5low100310
pteridinesazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
pteridines
1995199529.0low001000
purinepurine1997199727.0low001000
putrescinealkane-alpha,omega-diamineantioxidant;
fundamental metabolite
1986198638.0low010000
pyridineazaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines
environmental contaminant;
NMR chemical shift reference compound
1997201815.7low001110
pyridoxal phosphatemethylpyridines;
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
1964201037.0low110100
pyridoxamineaminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6
Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
2003200321.0low000100
pyridoxinehydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1951201247.1low041110
pyrogallolbenzenetriol;
phenolic donor
plant metabolite1994200126.5low001100
pyruvic acid2-oxo monocarboxylic acidcofactor;
fundamental metabolite
1986200128.0low012100
quinolinic acidpyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
2003200719.3low000300
dithionitesulfur oxide;
sulfur oxoanion
2002200321.5low000200
sarcosineN-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines
Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
1993201122.0low001010
selenious acidselenium oxoacid1986198638.0low010000
sulfitesdivalent inorganic anion;
sulfur oxide;
sulfur oxoanion
1990201023.3low001200
spermidinepolyazaalkane;
triamine
autophagy inducer;
fundamental metabolite;
geroprotector
1989201223.5low010010
succinic acidalpha,omega-dicarboxylic acid;
C4-dicarboxylic acid
anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
2004202012.2low000230
sulfuric acidsulfur oxoacidcatalyst2008200816.0low000100
taurineamino sulfonic acid;
zwitterion
antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
1982202315.6low011012
thiamineprimary alcohol;
vitamin B1
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1963202040.4low030110
thyminepyrimidine nucleobase;
pyrimidone
Escherichia coli metabolite;
human metabolite;
mouse metabolite
2000200521.5low001100
toluenemethylbenzene;
toluenes;
volatile organic compound
cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
1999199925.0low001000
uracilpyrimidine nucleobase;
pyrimidone
allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
1963196361.0low010000
uric aciduric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
1963202029.2low021210
ureaisourea;
monocarboxylic acid amide;
one-carbon compound
Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1963201625.5low012120
vanillinbenzaldehydes;
monomethoxybenzene;
phenols
anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
2007201811.5low000110
vanillinbenzaldehydes;
monomethoxybenzene;
phenols
anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
2007200717.0low000100
xanthinexanthineSaccharomyces cerevisiae metabolite1991199331.7low003000
2-amino-5-phosphonovaleratenon-proteinogenic alpha-amino acidNMDA receptor antagonist2005200519.0low000100
mentholp-menthane monoterpenoid;
secondary alcohol
volatile oil component2005201016.5low000200
1,10-phenanthrolinephenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1986198638.0low010000
1,2-dimethylhydrazinehydrazinesalkylating agent;
carcinogenic agent
2001200322.0low000200
1,2-dioctanoylglycerol1994199529.5low002000
1-aminobenzotriazole2000200024.0low001000
1-anilino-8-naphthalenesulfonateaminonaphthalene;
naphthalenesulfonic acid
fluorescent probe1963202317.9low1614151610
1-anilino-8-naphthalenesulfonateaminonaphthalene;
naphthalenesulfonic acid
fluorescent probe1963202318.0low1614141510
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridinemethylpyridines;
phenylpyridine;
tetrahydropyridine
neurotoxin2011201113.0low000010
edelfosineglycerophosphocholine1996199628.0low001000
gw 24332001200123.0medium000100
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridineimidazopyridine;
primary amino compound
carcinogenic agent;
mutagen
1997202121.7low004501
mercaptoethanolalkanethiol;
primary alcohol
geroprotector2002200222.0low000100
pyrithionemonohydroxypyridine;
pyridinethione
ionophore202320231.0low000001
2-aminoethoxydiphenyl borateorganoboron compound;
primary amino compound
calcium channel blocker;
IP3 receptor antagonist;
potassium channel opener
2006200618.0low000100
aminopropionitrileaminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
1991199133.0low001000
3-methylcholanthreneortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
1998200920.5low001100
5,5-dimethyl-1-pyrroline-1-oxide1-pyrroline nitronesneuroprotective agent;
spin trapping reagent
2000202017.0low001110
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
1986199533.5low011000
5,8,11,14-eicosatetraynoic acidlong-chain fatty acid1986200031.6low027000
6-methoxytryptoline2005200519.0low000100
oxyquinolinemonohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
2009200915.0low000100
aa 8611,4-benzoquinones;
acetylenic compound;
primary alcohol
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor
1994200622.7low001200
2,2'-azobis(2-amidinopropane)monoazo compound1992201221.9low00121620
acetohexamideacetophenones;
N-sulfonylurea
hypoglycemic agent;
insulin secretagogue
202020204.0low000010
4-(acetylamino)benzeneacetic acidacetamides;
anilide
2008200816.0low000100
adrenic aciddocosatetraenoic acidmouse metabolite1988202022.8low011110
tocopheroxy radicaltocopherol2005200519.0low000100
alprazolamorganochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
201720177.0low000010
am 251amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles
antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist
2013201311.0low000010
ambroxolaromatic amine1994199430.0low001000
ametantrone1985198539.0low010000
pimagedineguanidines;
one-carbon compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2014201410.0low000010
p-aminohippuric acidN-acylglycineDaphnia magna metabolite1987198737.0low010000
theophyllinedimethylxanthineadenosine 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
1963202334.7low042001
amitriptylinecarbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
2000201911.3low001020
anethole trithionemethoxybenzenes1995199529.0low001000
9-anthroic acidanthroic acid1992199232.0low001000
aspirinbenzoic 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
1982202228.7low287121
aurintricarboxylic acidmonohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid
fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist
1997199727.0low001000
azelaic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
2010201113.5low100110
2,2-bis(4-glycidyloxyphenyl)propanediarylmethane2003200619.5low000200
bay-k-8644(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester
1991199133.0low001000
benzo(a)pyreneortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
1983200728.0low013400
benzyl benzoatebenzoate ester;
benzyl ester
acaricide;
plant metabolite;
scabicide
2004200420.0low000100
bepridilpyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
1995200224.5low002200
2,5-di-tert-butylhydroquinonehydroquinones1998199826.0low001000
bisbenzimidazolebibenzimidazole;
N-methylpiperazine
anthelminthic drug;
fluorochrome
2008200816.0low000100
bisindolylmaleimide i1997201817.3low001110
bupivacainearomatic amide;
piperidinecarboxamide;
tertiary amino compound
201820186.0low000020
caffeinepurine 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
1994200821.0low001200
verapamilaromatic ether;
nitrile;
polyether;
tertiary amino compound
1989201627.6low013010
camostatbenzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
1998199826.0low001000
carbamazepinedibenzoazepine;
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
1981200133.0low010100
carcininebeta-alanine derivative;
imidazoles;
monocarboxylic acid amide;
organonitrogen compound;
organooxygen compound
antioxidant;
crustacean metabolite
1994199430.0low001000
carprofencarbazoles;
organochlorine compound
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
1997199727.0low001000
cetyltrimethylammonium ionquaternary ammonium ion1992201523.5low002110
chloroquineaminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
1998200025.0low002000
chlorothiazidebenzothiadiazineantihypertensive agent;
diuretic
1963196361.0low010000
chlorpromazineorganochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
1988200030.0low011000
ciglitazonearomatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
2001201414.7low000330
eucalyptol2009201213.5low000110
ciprofloxacinaminoquinoline;
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
201520159.0low000010
clofibratearomatic ether;
ethyl ester;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
1984201723.5low012410
clofibric acidaromatic ether;
monocarboxylic acid;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
1984199235.3low012000
clonidineclonidine;
imidazoline
1982198242.0low010000
dantrolenehydrazone;
imidazolidine-2,4-dione
muscle relaxant;
neuroprotective agent;
ryanodine receptor antagonist
2001200123.0low000100
decanoic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
1994201719.8low003520
deferiprone4-pyridonesiron chelator;
protective agent
201920214.0low000011
deferoxamineacyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
1989200226.8low013100
diazepam1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
1993201720.7low002010
diclofenacamino 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
2007200717.0low000100
ddtbenzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide
bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
1986198638.0low010000
pentetic acidpentacarboxylic acidcopper chelator1989199731.3low012000
benzophenonebenzophenonesphotosensitizing agent;
plant metabolite
1993201122.0low001010
dipyridamolepiperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
1992199232.0low001000
valproic acidbranched-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
1996200524.3low002100
ebselenbenzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
1997199727.0low001000
econazoledichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
2011201113.0low000010
eicosa-11,14-dienoic acidlong-chain fatty acid2001201215.8high000220
embelindihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
201620168.0low000010
emodintrihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
2002200222.0low000100
erythrosine1990200525.0low003200
ethacrynic acidaromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid
EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
1999199925.0low001000
etherether;
volatile organic compound
inhalation anaesthetic;
non-polar solvent;
refrigerant
1993201918.0low001010
ethoxyquinaromatic ether;
quinolines
antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
2007200717.0low000100
ethoxyresorufinphenoxazine1997199727.0low001000
eicosapentaenoic acid ethyl ester199820219.0low001132
carbonyl cyanide p-trifluoromethoxyphenylhydrazonearomatic ether;
hydrazone;
nitrile;
organofluorine compound
ATP synthase inhibitor;
geroprotector;
ionophore
1998200821.0low001100
fenofibratearomatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
1989201819.6low011420
fluconazoleconazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug
environmental contaminant;
P450 inhibitor;
xenobiotic
201720224.5low000011
fluorouracilnucleobase analogue;
organofluorine compound
antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
2013201311.0low000010
flurbiprofenfluorobiphenyl;
monocarboxylic acid
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008200816.0low000100
fp 83organic molecular entity2008200816.0low000100
flutamide(trifluoromethyl)benzenes;
monocarboxylic acid amide
androgen antagonist;
antineoplastic agent
2011201113.0low100010
fomepizolepyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
1994199430.0low001000
furosemidechlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
2008200816.0low100100
gabapentingamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
2001200123.0low000100
gabexatebenzoate ester1998199826.0low001000
gemfibrozilaromatic etherantilipemic drug2006200618.0low000100
gentamicin2003200321.0low000100
glipizidearomatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines
EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
2000200024.0low001000
glyburidemonochlorobenzenes;
N-sulfonylurea
anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
2009200915.0low000100
go 6976indolocarbazole;
organic heterohexacyclic compound
EC 2.7.11.13 (protein kinase C) inhibitor2000200024.0low001000
gossypol1993199331.0low001000
guaifenesinmethoxybenzenes1999202012.8low001040
1-(5-isoquinolinesulfonyl)-2-methylpiperazineisoquinolines;
N-sulfonylpiperazine
EC 2.7.11.13 (protein kinase C) inhibitor1988200332.4low031100
halothanehaloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound
inhalation anaesthetic1988198836.0low010000
miltefosinephosphocholines;
phospholipid
anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
2008200816.0low000100
hexestrolstilbenoid1964196460.0low010000
hexobarbitalbarbiturates2010201213.0low000110
ethidiumphenanthridinesfluorochrome;
intercalator
1998199826.0low001000
hydralazineazaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
1982198640.0low020000
hydrochlorothiazidebenzothiadiazine;
organochlorine compound;
sulfonamide
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
1997199727.0low001000
hydroxyureaone-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
1994201816.3low001020
hypericin1996199628.0low001000
ibuprofenmonocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
1985199932.0low011000
lidocainebenzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
1987200727.0low010100
idebenone1,4-benzoquinones;
primary alcohol
antioxidant;
ferroptosis inhibitor
2009200915.0low000100
imipraminedibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
2000200024.0low001000
indole-3-carbinolindolyl alcoholantineoplastic agent;
plant metabolite
1997199926.0low002000
indomethacinaromatic 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
1981202230.7low11629401
iodoquinolmonohydroxyquinoline;
organoiodine compound
antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
1981198143.0low010000
1-methyl-3-isobutylxanthine3-isobutyl-1-methylxanthine1994200224.7low001200
isoniazidcarbohydrazideantitubercular agent;
drug allergen
2012201212.0low000010
2-propanolsecondary alcohol;
secondary fatty alcohol
protic solvent1997202016.0low001120
isoproterenolcatechols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
1982199834.3low076000
ketoconazoledichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
2012201311.3low000030
ketoprofenbenzophenones;
oxo monocarboxylic acid
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
1995200623.5low001100
khellinfuranochromone;
organic heterotricyclic compound;
oxacycle
anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
1997200025.5low004000
lauric acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antibacterial agent;
plant metabolite
1982201918.6low21711100
lomustineN-nitrosoureas;
organochlorine compound
alkylating agent;
antineoplastic agent
1962196262.0low010000
loratadinebenzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
2009200915.0low000100
ly 171883acetophenones;
aromatic ether;
phenols;
tetrazoles
anti-asthmatic drug;
leukotriene antagonist
1994199430.0low001000
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-onechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
2012201212.0low000010
mecamylamineprimary aliphatic amine2005200519.0low000100
mesalamineamino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols
non-steroidal anti-inflammatory drug1992199232.0low001000
metforminguanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
2010201113.5low100110
methyl methanesulfonatemethanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
2005200519.0low000100
metronidazoleC-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
1998199826.0low001000
midodrineamino acid amide;
aromatic ether;
secondary alcohol
alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
2003200321.0low000100
mitotanediarylmethane201920195.0low000010
mitoxantronedihydroxyanthraquinoneanalgesic;
antineoplastic agent
1985198539.0low010000
molsidomineethyl ester;
morpholines;
oxadiazole;
zwitterion
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
2006200618.0low000100
n-(6-aminohexyl)-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
1984198440.0low010000
nabumetonemethoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
2000200521.5low001100
neostigminequaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
1985198539.0low010000
nifedipineC-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
1991201124.2low002110
nisoldipineC-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
1994199430.0low001000
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamidearomatic ether;
C-nitro compound;
sulfonamide
antineoplastic agent;
cyclooxygenase 2 inhibitor
2000200024.0low001000
oxidopaminebenzenetriol;
catecholamine;
primary amino compound
drug metabolite;
human metabolite;
neurotoxin
201020228.0low000101
aminosalicylic acidaminobenzoic acid;
phenols
antitubercular agent1992199232.0low001000
quinone1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
2005200817.5low000200
pd 98059aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
2004200420.0low000100
pentobarbitalbarbituratesGABAA receptor agonist1993200027.5low002000
pentoxifyllineoxopurine1997202112.2low101121
perhexilinepiperidinescardiovascular drug201820186.0low000010
phenobarbitalbarbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
1986199632.1low016000
pindololindoles;
secondary amine
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
1987198737.0low010000
pioglitazonearomatic 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
1995202314.3low101011
pomiferinisoflavanones2003200321.0low000100
potassium chlorideinorganic chloride;
inorganic potassium salt;
potassium salt
fertilizer1996199628.0low001000
potassium iodidepotassium saltexpectorant;
radical scavenger
202320231.0low000001
proadifendiarylmethane1991200128.0low001100
probenecidbenzoic acids;
sulfonamide
uricosuric drug1988198836.0low010000
probucoldithioketal;
polyphenol
anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
1989201127.7low014010
procainamidebenzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
2011201113.0low000010
proglumidebenzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate
anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite
2004200420.0low000100
propidiumphenanthridines;
quaternary ammonium ion
fluorochrome;
intercalator
2000200123.7low002100
propofolphenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
2005201314.3low000120
propranololnaphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
1987200827.7low011100
propyl gallatetrihydroxybenzoic acid1997201319.0low001010
pf 5901quinolines1992199232.0low001000
1,6-bis(cyclohexyloximinocarbonyl)hexanecarbamate ester;
organonitrogen compound
1993199331.0low001000
ro 31-8220imidothiocarbamic ester;
indoles;
maleimides
EC 2.7.11.13 (protein kinase C) inhibitor2000200024.0low001000
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinonemethoxybenzenes1992199232.0low001000
saccharin1,2-benzisothiazole;
N-sulfonylcarboxamide
environmental contaminant;
sweetening agent;
xenobiotic
1996200721.3low001200
safrolebenzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
2011201113.0low000010
sebacic acidalpha,omega-dicarboxylic acid;
dicarboxylic fatty acid
human metabolite;
plant metabolite
2003200321.0low000100
linsidominemorpholines2006200618.0low000100
sodium fluoridefluoride saltmutagen1990199034.0low001000
stearic acidlong-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
1956202131.1medium12957469523
sulfacetamideN-sulfonylcarboxamide;
substituted aniline
antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
1963196361.0low010000
sulfamethazinepyrimidines;
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
202220222.0low000001
sulpiridebenzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
1998199826.0low001000
suprofenaromatic ketone;
monocarboxylic acid;
thiophenes
antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
1994199430.0low001000
tetracainebenzoate ester;
tertiary amino compound
local anaesthetic1984198440.0low010000
tetraethylammoniumquaternary ammonium ion1999199925.0low001000
2,4-thiazolidinedionethiazolidenedione2001200322.0low000200
tiaprofenic acidaromatic ketone;
monocarboxylic acid;
thiophenes
drug allergen;
non-steroidal anti-inflammatory drug
1994200125.7low002100
ticlopidinemonochlorobenzenes;
thienopyridine
anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
201720177.0low000010
tolbutamideN-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
1963200838.5low010100
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamineN-substituted diamine;
pyridines;
tertiary amino compound
apoptosis inducer;
chelator;
copper chelator
2003200321.0low000100
triamterenepteridinesdiuretic;
sodium channel blocker
1997199727.0low001000
trifluoperazineN-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines
antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
1984200230.8low021100
troglitazonechromanes;
thiazolidinone
anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
1995200723.0low102300
tyraminemonoamine molecular messenger;
primary amino compound;
tyramines
EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
1997199727.0low001000
w 71984198838.0low020000
pirinixic acidaryl sulfide;
organochlorine compound;
pyrimidines
1984201219.7low012720
hydrocortisone acetatecortisol ester;
tertiary alpha-hydroxy ketone
2008200816.0low000100
mitomycinmitomycinalkylating agent;
antineoplastic agent
2005200519.0low000100
corticosterone11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
1982201425.1low012310
prednisolone11beta-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
2006200618.0low000100
estriol16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid
estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
1964200639.0low010100
sorbitolglucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
1991201620.5low001010
alloxanpyrimidonehyperglycemic agent;
metabolite
1986200629.3low011100
thymidinepyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
1988200528.3low026300
hydroxyproline4-hydroxyproline;
L-alpha-amino acid zwitterion
human metabolite;
mouse metabolite;
plant metabolite
1991199133.0low001000
thyroxine2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine
antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
1964202232.2low021001
carbacholammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
1987200529.4low021200
aldosterone11beta-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
1990202019.6low001310
prednisone11-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
2002200222.0low000100
estrone17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
1964200928.5low010300
androsterone17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid
androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
1964200340.5low010100
dehydroepiandrosterone17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid
androgen;
human metabolite;
mouse metabolite
1993201520.0low001010
2-acetylaminofluorene2-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
1987198836.5low020000
pentylenetetrazoleorganic heterobicyclic compound;
organonitrogen heterocyclic compound
2009201412.5low000110
triiodothyronine2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
1982202228.1low033011
diethylnitrosaminenitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
2012201212.0low000010
isoflurophatedialkyl phosphate1963196361.0low010000
carbon tetrachloridechlorocarbon;
chloromethanes
hepatotoxic agent;
refrigerant
1982202325.4low051311
alaninealanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid
EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
1985202315.9low011222
serineL-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
1964202322.0low031423
benz(a)anthraceneortho-fused polycyclic arene;
tetraphenes
1964196460.0low010000
aspartic acidaspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
1985202215.6low011012
glutamineamino 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
1997202014.7low001020
lysineaspartate 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
1964202323.6low033512
cyanidespseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor1983198341.0low010000
sucroseglycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
1964202221.7low2561134
9,10-dimethyl-1,2-benzanthraceneortho-fused polycyclic arene;
tetraphenes
carcinogenic agent1984201728.5low0313210
adenosine diphosphateadenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
fundamental metabolite;
human metabolite
1984200829.1low254600
uridineuridinesdrug metabolite;
fundamental metabolite;
human metabolite
201520159.0low000010
bromodeoxyuridinepyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
2001200123.0low000100
galactoseD-galactose;
galactopyranose
Escherichia coli metabolite;
mouse metabolite
1964202232.0low032011
carbostyrilmonohydroxyquinoline;
quinolone
bacterial xenobiotic metabolite1995202114.0low001211
phenylephrinephenols;
phenylethanolamines;
secondary amino compound
alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
201820186.0low000010
levodopaamino 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
1994201818.0low001010
edetic acidethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid
anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
1984200826.2low026600
tributyrinbutyrate ester;
triglyceride
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent
2007200717.0low000100
p-dimethylaminoazobenzeneazobenzenes1965196559.0low010000
phenylethyl alcoholbenzenes;
primary alcohol
Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
1993201614.9low001240
tyrosineamino 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
1984202220.2low2161131
monomethylhydrazine1990199034.0low001000
adenosine monophosphateadenosine 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
2001200123.0low000100
methylene blueorganic chloride saltacid-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
1992200923.5low001100
4-toluenesulfonic acidarenesulfonic acid;
toluenes
2001200123.0low000100
leucineamino 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
1987201222.5low022520
anilineanilines;
primary arylamine
1995199529.0low002000
2-aminoisobutyric acid2,2-dialkylglycine zwitterion;
2,2-dialkylglycine
1992199232.0low001000
androstenedione17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
2008200816.0low000100
lactoselactose1986201220.2low111220
methionineaspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid
antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1964202221.3low114521
1,2-dipalmitoylphosphatidylcholine1987201621.1low012320
phenylalanineamino 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
1992202314.4low303443
desoxycorticosterone20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone
human metabolite;
mouse metabolite
1990199034.0low002000
colchicinealkaloid;
colchicine
anti-inflammatory agent;
gout suppressant;
mutagen
1983199334.7low012000
cytidinecytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1996199628.0low001000
cytidine triphosphatecytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate
Escherichia coli metabolite;
mouse metabolite
1996199628.0low001000
n-hexanalmedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
human urinary metabolite1990202314.2low002361
strophanthidin14beta-hydroxy steroid;
19-oxo steroid;
3beta-hydroxy steroid;
5beta-hydroxy steroid;
cardenolides;
steroid aldehyde
201620168.0low000010
cycloheximideantibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol
anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
1988200628.6low014200
egtazic aciddiether;
tertiary amino compound;
tetracarboxylic acid
chelator1993199530.0low002000
barbituric acidbarbituratesallergen;
xenobiotic
2002200222.0low000100
chloroformchloromethanes;
one-carbon compound
carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
1965202233.8low020101
fluocinolone acetonide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone
anti-inflammatory drug;
antipruritic drug
2009200915.0low000100
sodium citrate, anhydrousorganic sodium saltanticoagulant;
flavouring agent
2012201212.0low000010
mannitolmannitolallergen;
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
1989201821.0low013030
cytarabinebeta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside
antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
1984198440.0low010000
trifluridinenucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
2013201311.0low000010
ornithinenon-proteinogenic L-alpha-amino acid;
ornithine
algal metabolite;
hepatoprotective agent;
mouse metabolite
2014201410.0low000010
histidineamino 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
1994201121.2low002710
n-pentanolpentanol;
short-chain primary fatty alcohol
human metabolite;
plant metabolite
1999199925.0low001000
medroxyprogesterone acetate20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester
adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
1985198539.0low010000
valineL-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
2001202213.5low000411
threonineamino 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
1964202217.5low010012
cordycepin3'-deoxyribonucleoside;
adenosines
antimetabolite;
nucleoside antibiotic
1994199430.0low001000
tryptophanerythrose 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
1990202316.9low007343
isoleucineaspartate 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
1964202217.0low010131
argininearginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1984202321.8low114012
ethanealkane;
gas molecular entity
plant metabolite;
refrigerant
1989198935.0low010000
ethylenealkene;
gas molecular entity
plant hormone;
refrigerant
1995201817.5low001010
acetylenealkyne;
gas molecular entity;
terminal acetylenic compound
1998199826.0low001000
boranesboranes;
mononuclear parent hydride
2000200024.0low001000
propanealkane;
gas molecular entity
food propellant2002200222.0low000100
acetonitrilealiphatic nitrile;
volatile organic compound
EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
1997201817.8low001310
methylene chloridechloromethanes;
volatile organic compound
carcinogenic agent;
polar aprotic solvent;
refrigerant
2011201113.0low000010
cyclopropanecycloalkane;
cyclopropanes
inhalation anaesthetic1999199925.0low001000
boron trifluorideboron fluorideNMR chemical shift reference compound2000200024.0low001000
tert-butyl alcoholtertiary alcoholhuman xenobiotic metabolite202220222.0low000001
tert-amyl alcoholaliphatic alcohol;
tertiary alcohol
protic solvent1999199925.0low001000
tert-butylhydroperoxidealkyl hydroperoxideantibacterial agent;
oxidising agent
1993201720.6low003320
trifluoroacetic acidfluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
1997199727.0low001000
triamcinolone acetonide11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone
anti-allergic agent;
anti-inflammatory drug
1993199331.0low001000
phencyclidinebenzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
201520159.0low000010
quinic acid2005202210.5low000101
trimethylolpropaneprimary alcohol201520159.0low000010
triparanolstilbenoidanticoronaviral agent1964196460.0low010000
azobis(isobutyronitrile)2004200420.0low000100
linaloolmonoterpenoid;
tertiary alcohol
antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
2014201410.0low000010
chloroacetyl chlorideacyl halide1999199925.0low001000
acrylamideacrylamides;
N-acylammonia;
primary carboxamide
alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
2008201910.5low000110
acrylic acidalpha,beta-unsaturated monocarboxylic acidmetabolite2013201311.0low000010
methyl chloroformate201920195.0low000010
isobutyric acidbranched-chain saturated fatty acid;
fatty acid 4:0;
methyl-branched fatty acid
Daphnia magna metabolite;
plant metabolite;
volatile oil component
2004200420.0low000100
bisphenol abisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
202020204.0low000010
alpha-pinenepineneplant metabolite2009200915.0low000200
methylmethacrylateenoate ester;
methyl ester
allergen;
polymerisation monomer
2014201410.0low000010
taurocholic acidamino sulfonic acid;
bile acid taurine conjugate
human metabolite1992202216.0low001111
skatolemethylindolehuman metabolite;
mammalian metabolite
201520159.0low000010
methylprednisolone6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
1995199529.0low101000
rotenoneorganic heteropentacyclic compound;
rotenones
antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
201520187.5low000020
pyocyanineiminium betaine;
phenazines
antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor
202220222.0low000001
xylitol2002200222.0low000100
n-vinyl-2-pyrrolidinonepyrrolidin-2-ones2004200420.0low000100
thymolmonoterpenoid;
phenols
volatile oil component2004201216.0low000110
anthroneanthracenoneradical scavenger2013201311.0low000010
quinoxalinesmancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
2005200519.0low000100
quinolineazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
1997199727.0low001000
2-naphthylaminenaphthylaminecarcinogenic agent2001200123.0low000100
3,3'-dichlorobenzidinebiphenyls;
monochlorobenzenes;
organochlorine compound
2007200717.0low000100
diphenylaromatic fungicide;
benzenes;
biphenyls
antifungal agrochemical;
antimicrobial food preservative
201820186.0low000010
benzidinebiphenyls;
substituted aniline
carcinogenic agent1996200722.5low001100
methyleugenolphenylpropanoid2010201014.0low000100
propylparabenbenzoate ester;
paraben;
phenols
antifungal agent;
antimicrobial agent
2012201212.0low000010
benzoyl peroxidecarbonyl compound2003202211.5low100101
alpha-chlorohydrinchloropropane-1,2-diol201520159.0low000010
thioglycerolpropane-1,2-diols;
thiol
reducing agent;
vulnerary
1986198638.0low010000
4-butyrolactonebutan-4-olidemetabolite;
neurotoxin
1986202016.2low011130
lactobionic aciddisaccharideantioxidant201720177.0low000010
furfuryl alcoholfurans;
primary alcohol
Maillard reaction product2014201410.0low000010
cumenealkylbenzene201820186.0low000010
trehalosetrehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1997201221.8low002110
4-bromophenacyl bromide1988199929.3low012000
gamma-terpinenecyclohexadiene;
monoterpene
antioxidant;
human xenobiotic metabolite;
plant metabolite;
volatile oil component
2003201116.3low000210
4-cymenemonoterpene;
toluenes
human urinary metabolite;
plant metabolite;
volatile oil component
2004200420.0low000100
terephthalic acidbenzenedicarboxylic acid201520159.0low000010
phenylhydrazinephenylhydrazinesxenobiotic1955198655.7low030000
anisolemonomethoxybenzeneplant metabolite2011201113.0low000010
quinuclidinesquinuclidines;
saturated organic heterobicyclic parent
2007200717.0low000100
triethanolamineamino alcohol;
tertiary amino compound;
triol
buffer;
surfactant
2008200816.0low000100
4-anisidinemethoxybenzenes;
primary amino compound;
substituted aniline
genotoxin;
reagent
201520159.0low000010
citronellalaldehyde;
monoterpenoid
antifungal agent;
metabolite
2014201410.0low000010
4-vinyl-1-cyclohexene dioxideepoxidecarcinogenic agent202320231.0low000001
ethylene dibromidebromoalkane;
bromohydrocarbon
algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
1993199331.0low001000
acroleinenalherbicide;
human xenobiotic metabolite;
toxin
1990201620.1low002320
allylaminealkylamine1991199133.0low001000
allyl alcoholprimary allylic alcohol;
propenol
antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
2008200816.0low000100
glyoxaldialdehydeagrochemical;
allergen;
pesticide;
plant growth regulator
2001202311.7low000111
2-methylpentanealkane200320228.9low0003112
chlorobenzenemonochlorobenzenessolvent1996201817.0low001110
cyclohexanolcyclohexanols;
secondary alcohol
solvent2009201213.5low000110
thiophenolaryl thiol201520159.0low000010
n-pentanoic acidshort-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite2013201311.0low000010
pentanealkane;
volatile organic compound
non-polar solvent;
refrigerant
1989199532.0low012000
vinyl etherether201520159.0low000010
pyrrolespyrrole;
secondary amine
1986202022.2low011210
furanfurans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
2006201514.3low000210
thiophenesmancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound
non-polar solvent2001201317.0low000110
di-tert-butyl peroxide2005200519.0low000100
n-hexanealkane;
volatile organic compound
neurotoxin;
non-polar solvent
201620225.3low000021
pentanalsaturated fatty aldehydeplant metabolite202020204.0low000010
piperidineazacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine
base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
1984201027.0low010100
morpholinemorpholines;
saturated organic heteromonocyclic parent
NMR chemical shift reference compound2010201014.0low000100
1-hexanolhexanol;
primary alcohol
alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
201220208.7low000030
ethyl stearatelong-chain fatty acid ethyl ester;
octadecanoate ester
plant metabolite201820186.0low000010
heptanalmedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
biomarker202020204.0low000010
carbitoldiether;
glycol ether;
hydroxypolyether;
primary alcohol
protic solvent2008200816.0low000100
pelargonic acidmedium-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
antifeedant;
Daphnia magna metabolite;
plant metabolite
1982198242.0low010000
methyl palmitatefatty acid methyl estermetabolite2003200321.0low000100
n-dodecanealkaneplant metabolite201620168.0low000010
dodecanoldodecanol;
primary alcohol
bacterial metabolite;
cosmetic;
insect attractant;
insecticide;
pheromone;
plant metabolite
1985198539.0low010000
palmitoyl chloride1983198341.0low010000
myristyl alcohollong-chain primary fatty alcohol;
tetradecanol
pheromone;
plant metabolite;
volatile oil component
2004200420.0low000100
behenic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite1998201817.7low001110
stearyl alcohollong-chain primary fatty alcohol;
octadecanol
algal metabolite;
human metabolite;
plant metabolite
201920195.0low000010
dicofolmonochlorobenzenes;
organochlorine acaricide;
tertiary alcohol
1986198638.0low010000
diethylhexyl phthalatediester;
phthalate ester
androstane receptor agonist;
apoptosis inhibitor;
plasticiser
1984200430.0low010100
framycetinaminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
1962196262.0low010000
dianisidinebiphenyls2007200717.0low000100
2-tolidinebiphenyls2007200717.0low000100
vanillic acidmethoxybenzoic acid;
monohydroxybenzoic acid
plant metabolite2002202213.0low000211
pyrazolanthroneanthrapyrazole;
aromatic ketone;
cyclic ketone
antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
2012201212.0low000010
shikimic acidalpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
202220222.0low000001
nitrilotriacetic acidNTA;
tricarboxylic acid
carcinogenic agent;
nephrotoxic agent
1989200527.8low012200
estragolealkenylbenzene;
monomethoxybenzene;
phenylpropanoid
carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
202220222.0low000001
ethyl acetateacetate ester;
ethyl ester;
volatile organic compound
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
2000202314.9low001412
cupric acetate201520159.0low000010
sodium cyanidecyanide salt;
one-carbon compound;
sodium salt
EC 1.15.1.1 (superoxide dismutase) inhibitor1982198242.0low010000
diphenhydramine hydrochloridehydrochloride;
organoammonium salt
anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
202320231.0low000001
potassium cyanidecyanide salt;
one-carbon compound;
potassium salt
EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin
1983199833.5low011000
catechincatechinantioxidant;
plant metabolite
1997202116.6low0041142
peryleneortho- and peri-fused polycyclic arene;
perylenes
1996199628.0low001000
quinazolinesazaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
1998199826.0low001000
acridinesacridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene
genotoxin1984199335.5low011000
adamantaneadamantanes;
polycyclic alkane
201920214.0low000011
cyclopentanecycloalkane;
cyclopentanes;
volatile organic compound
non-polar solvent2000202213.3low0011091
oxazoles1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
1993201719.0low001010
thiazoles1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
1995201621.6low107920
pyrimidinediazine;
pyrimidines
Daphnia magna metabolite1997199727.0low001000
pyrazinesdiazine;
pyrazines
Daphnia magna metabolite2003202313.2low000221
nitroblue tetrazoliumorganic cation1987200527.8low011200
ephedrinephenethylamine alkaloid;
phenylethanolamines
bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
2000200024.0low001000
hydrazineazane;
hydrazines
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor1964200820.5low0111700
thiocyanatepseudohalide anion;
sulfur molecular entity
human metabolite1995200325.0low001100
paraoxonaryl dialkyl phosphate;
organophosphate insecticide
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
2008200816.0low000100
azacitidineN-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent2013201410.5low000020
diazomethanediazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
1994200126.5low003100
perfluorooctanoic acidfluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
201620168.0low000010
citrullineamino 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
1997199727.0low001000
perflubronhaloalkane;
organobromine compound;
perfluorinated compound
blood substitute;
radioopaque medium
2003200321.0low000100
lithocholic acidbile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid
geroprotector;
human metabolite;
mouse metabolite
2012201212.0low000010
limestonecalcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound
antacid;
fertilizer;
food colouring;
food firming agent
201520159.0low000010
chenodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
202020204.0low100010
glycocholic acidbile acid glycine conjugatehuman metabolite1990202223.0low004201
fusarium201020198.7low0001100
rheindihydroxyanthraquinone2002200222.0low000100
aloe emodinaromatic primary alcohol;
dihydroxyanthraquinone
antineoplastic agent;
plant metabolite
2002200222.0low000100
diphenic aciddicarboxylic acid1998199826.0low001000
dihydralazinephthalazines1982198640.0low020000
reticulinbenzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol
plant metabolite1964196460.0low010000
bicucullinebenzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines
agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
2005200519.0low000100
kainic aciddicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid
antinematodal drug;
excitatory amino acid agonist
1996199628.0low001000
bufotenintertiary amine;
tryptamine alkaloid
coral metabolite;
hallucinogen
202120213.0low000001
thymoquinone1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
201620168.0low000010
benzohydroxamic acid1998200124.5low001100
carvacrolbotanical anti-fungal agent;
p-menthane monoterpenoid;
phenols
agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
2004201216.0low000110
indophenolquinone iminedye1963196361.0low010000
4-hydroxyphenylethanolphenolsanti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent
2010201511.5low000110
margaric acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
mammalian metabolite
1990201425.0low002010
16-hydroxypalmitic acidhydroxypalmitic acid;
omega-hydroxy-long-chain fatty acid
plant metabolite201620168.0low000010
arachidic acidlong-chain fatty acid;
straight-chain saturated fatty acid
plant metabolite1996202013.0low001140
hexacosanoic acidfatty acid 26:0;
straight-chain saturated fatty acid;
very long-chain fatty acid
1996201518.5low001010
oleanolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
plant metabolite2002200222.0low000100
tetranitromethaneorganonitrogen compound1982198242.0low010000
abietic acidabietane diterpenoid;
monocarboxylic acid
plant metabolite2002200222.0low000100
periplogenin201620168.0low000010
kryptopyrrole1986198638.0medium010000
medroxyprogesterone17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone
contraceptive drug;
progestin;
synthetic oral contraceptive
1985198539.0low010000
dihydrotestosterone17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid
androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
1988199831.0low011000
luminol1993199331.0low001000
angelicinfuranocoumarin2000200024.0low001000
gluconic acidgluconic acidchelator;
Penicillium metabolite
2007201214.5low100110
copper gluconateorganic molecular entity2007201214.5low100110
cellobiosecellobioseepitope2007200717.0low000100
syringic acidbenzoic acids;
dimethoxybenzene;
phenols
plant metabolite2002202311.5low000101
methoxyhydroxyphenylglycolmethoxybenzenes;
phenols
1989198935.0low010000
4-toluenesulfinic acid1999199925.0low001000
1,2-dichloroethylenechloroethenes2001200123.0low000100
2,2,4-trimethylpentanealkane;
volatile organic compound
fuel additive;
nephrotoxin;
non-polar solvent
1996199827.0low002000
ethyl chloroformate2008200816.0low000100
malondialdehydedialdehydebiomarker1988202221.7low62181481
myristic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
1984202121.4low141714101
n-hexadecanelong-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
2002200917.7low000300
phenalen-1-one2012201212.0low000010
neutral redhydrochlorideacid-base indicator;
dye;
two-colour indicator
2008200816.0low000100
tristearintriacylglycerol 54:0Caenorhabditis elegans metabolite;
plant metabolite
1993200723.2low002200
tripalmitintriglyceride2005200718.0low000200
glycidolepoxide;
primary alcohol
2007201214.5low000110
lignoceric acidstraight-chain saturated fatty acid;
very long-chain fatty acid
Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
1992201619.2low002020
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-olterpineol;
tertiary alcohol
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
2011201113.0low000010
glycerylphosphorylcholineglycerophosphocholine2007200717.0low000100
2,3-dimethyl-2-butene1992199232.0low001000
docusatediester;
organosulfonic acid
1989199631.5low011000
3-hydroxyflavoneflavonols;
monohydroxyflavone
2003201416.4low000520
1-phenyl-1,2-propanedionealpha-diketone;
aromatic ketone
plant metabolite2004200420.0low000100
alpha-hydroxy-gamma-methylmercaptobutyric acidthia fatty acid2002200222.0low000100
octadecanelong-chain alkanebacterial metabolite;
plant metabolite
1999199925.0low001000
triphenylphosphinebenzenes;
tertiary phosphine
NMR chemical shift reference compound;
reducing agent
2012201212.0low000010
1-methylanthracene2002200222.0medium000100
2-anthramineanthracenamine2005200519.0low000100
acetylcysteineacetylcysteine;
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
1995201319.3low202610
1,4-cyclohexadienecyclohexadiene2001200123.0low000100
2-nonanolnonanol;
secondary alcohol
bacterial metabolite;
flavouring agent;
pheromone;
plant metabolite;
rat metabolite;
volatile oil component
2009200915.0medium000100
docosanelong-chain alkaneplant metabolite2002200222.0low000100
erythromycincyclic ketone;
erythromycin
1997201518.0low001010
nonadecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
fungal metabolite201520159.0low000010
dehydroepiandrosterone sulfate17-oxo steroid;
steroid sulfate
EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite
2006201712.5low000110
isosorbideorganic molecular entity202120213.0low100001
2-piperidonedelta-lactam;
piperidones
EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor2009200915.0low000100
methylnitrosoureaN-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
1995200525.3low002100
sterculic acidcyclopropenyl fatty acid;
long-chain fatty acid;
monounsaturated fatty acid
2013201311.0low000010
cyclopentenonealicyclic ketone;
enone
Hsp70 inducer2000201518.0low001210
1-methylpyridiniummethylpyridines2003200321.0low000100
deoxycytidinepyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1999202016.8low001320
rhodamine 6g2004200420.0low000100
pentadecanoic acidlong-chain fatty acid;
straight-chain saturated fatty acid
algal metabolite;
Daphnia magna metabolite;
food component;
human blood serum metabolite;
plant metabolite
2014201410.0low100020
ethambutolethanolamines;
ethylenediamine derivative
antitubercular agent;
environmental contaminant;
xenobiotic
2012201212.0low000010
tetradecyltrimethylammonium1991199730.7low003000
durapatite1986201922.2low011020
potassium hydroxidealkali metal hydroxide2002202012.8low000130
sodium hydroxidealkali metal hydroxide202120213.0low000001
zinc oxidezinc molecular entity1993201719.0low001010
monolaurin1-monoglyceride;
dodecanoate ester;
rac-1-monoacylglycerol
1982201227.0low010010
beta-pinenepineneplant metabolite2009201114.0low000110
vancomycinglycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
2000201813.3low001020
d-alpha tocopherolalpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
1946202324.7low13298366363
tocopherols1995202211.9low0037273
diphenyldiselenide2013201311.0low000010
9,10-epoxystearic acidepoxystearic acidhuman metabolite202020204.0low000010
ethyldimethylaminopropyl carbodiimide2009200915.0low000100
paraquatorganic cationgeroprotector;
herbicide
2005200519.0low000100
s,n,n'-tripropylthiocarbamatetertiary amine201320188.5low000020
2-tert-butylhydroquinonehydroquinonesfood antioxidant2001201515.7low000210
amiloridearomatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
1992200825.2low003100
aminocarbcarbamate ester;
toluenes
acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
molluscicide
2000200024.0low001000
betamethasone valerate11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester
anti-inflammatory drug2002200222.0low100100
diallyl disulfideorganic disulfideantifungal agent;
antineoplastic agent;
plant metabolite
2001201118.0low000110
gamma-dodecalactonegamma-lactonebacterial metabolite;
fungal metabolite;
volatile oil component
202020204.0medium000020
fluorescein2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye
fluorescent dye;
radioopaque medium
1997200820.8low301400
fucosefucopyranose;
L-fucose
Escherichia coli metabolite;
mouse metabolite
2014201410.0low000010
trichloroepoxypropane1996199628.0low001000
methionalaliphatic sulfideprostaglandin antagonist2014201410.0low000010
2,2-bis(bromomethyl)-1,3-propanediolprimary alcohol1994199430.0low001000
sabinenethujeneplant metabolite2009201114.0low000110
sabinenethujeneplant metabolite2002202312.2low000402
1-octen-3-olalkenyl alcohol;
medium-chain fatty alcohol
antimicrobial agent;
fungal metabolite;
insect attractant;
volatile oil component
2003202212.4low000331
mannoseD-aldohexose;
D-mannose;
mannopyranose
metabolite201720224.5low000011
dithiothreitol1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol
chelator;
human metabolite;
reducing agent
1989201422.6low013220
ecdysone14alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid
prohormone1988198836.0low010000
dimethyl trisulfideorganic trisulfide2014201410.0low000010
streptomycinantibiotic antifungal drug;
antibiotic fungicide;
streptomycins
antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
2012201212.0low000010
butylhydroxybutylnitrosaminenitrosamine;
primary alcohol
carcinogenic agent1995200126.0low001100
2,2,4,4,6,8,8-heptamethylnonanealkane1995199529.0medium001000
trimetazidinearomatic amine1998199826.0low001000
iodinated glyceroldioxolane1995199529.0low001000
isostearatebranched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid
1993199331.0low001000
limonenecycloalkene;
p-menthadiene
human metabolite2004200917.5low000200
olsalazineazobenzenes;
dicarboxylic acid
non-steroidal anti-inflammatory drug;
prodrug
1992199232.0low001000
n-methylaspartateamino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound
neurotransmitter agent1996200921.3low001200
manganeseelemental manganese;
manganese group element atom
Escherichia coli metabolite;
micronutrient
1993201419.8low002120
molybdenumchromium group element atommicronutrient2006200618.0low000100
palladiummetal allergen;
nickel group element atom;
platinum group metal atom
1962196262.0low010000
platinumelemental platinum;
nickel group element atom;
platinum group metal atom
2009200915.0low000100
rhodiumcobalt group element atom2005200519.0low000100
rutheniumiron group element atom;
platinum group metal atom
1991199133.0low001000
silvercopper group element atom;
elemental silver
Escherichia coli metabolite1998201918.2low004650
titaniumtitanium group element atom2009201313.3low000210
argonmonoatomic argon;
noble gas atom;
p-block element atom
food packaging gas;
neuroprotective agent
201820186.0low000010
cadmiumcadmium molecular entity;
zinc group element atom
1995202317.8low003102
ceriumf-block element atom;
lanthanoid atom
2003200321.0low000100
chromiumchromium group element atom;
metal allergen
micronutrient2000200024.0low001000
gadoliniumf-block element atom;
lanthanoid atom
1998199925.5low002000
goldcopper group element atom;
elemental gold
2000202113.0low001111
vanadiumelemental vanadium;
vanadium group element atom
micronutrient1984199235.3low012000
xenonmonoatomic xenon;
noble gas atom;
p-block element atom
2001200123.0low000100
cupric chloridecopper molecular entity;
inorganic chloride
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor1996199628.0low101000
mercuric chloridemercury coordination entitysensitiser1998199826.0low001000
acetylglucosamineN-acetyl-D-glucosamineepitope1989200029.5low011000
galactosamineD-galactosamine;
primary amino compound
toxin1991199232.5low002000
sodium nitrateinorganic nitrate salt;
inorganic sodium salt
fertilizer;
NMR chemical shift reference compound
202020204.0low000010
hypochlorous acidchlorine oxoacid;
reactive oxygen species
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
1992201321.1low003320
thionyl chloridechlorine molecular entity;
sulfinyl halide
2014201410.0low000010
ferrous sulfateiron molecular entity;
metal sulfate
reducing agent1994200524.8low002200
sodium pyrophosphateinorganic sodium saltchelator;
food emulsifier;
food thickening agent
1999199925.0low001000
brominediatomic bromine1964199345.5low011000
zinc sulfatemetal sulfate;
zinc molecular entity
fertilizer1994200125.7low102100
chromic acidchromium oxoacidoxidising agent2002200222.0low000100
chromateschromium oxoanion;
divalent inorganic anion
oxidising agent2002200222.0low000100
copper sulfatemetal sulfateemetic;
fertilizer;
sensitiser
1992201924.0low004010
silver nitrateinorganic nitrate salt;
silver salt
astringent1964201928.7low010110
deuteriumdihydrogen1987202219.0low121310132
nitrous acidnitrogen oxoacid1999199925.0low001000
silver iodide2014201410.0low000010
deuterium oxidedeuterated compound;
water
NMR solvent1996201617.8low002120
glycerol 1-stearate1-acylglycerol 18:0;
rac-1-monoacylglycerol
algal metabolite;
Caenorhabditis elegans metabolite
2004200420.0low000100
poloxaleneepoxide1989198935.0low010000
ozoneelemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen
antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
1963201333.2low023010
sodium seleniteinorganic sodium salt;
selenite salt
nutraceutical1993200326.0low001100
4-chloro-7-nitrobenzofurazanbenzoxadiazole;
C-nitro compound;
organochlorine compound
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
2008200816.0low000100
trolamine salicylate1995199529.0low001000
chrysotile1990199034.0low001000
ammonium chlorideammonium salt;
inorganic chloride
ferroptosis inhibitor1963196361.0low010000
ethionineS-ethylhomocysteineantimetabolite;
carcinogenic agent
1963196361.0low010000
benzo(a)pyrene 7,8-dihydrodiolpyrenes1992199232.0low002000
titanium dioxidetitanium oxidesfood colouring2009201313.3low000210
menthonementhone2005200519.0low000100
salen2003200321.0low000100
tiletamine hydrochloride1993201224.3low002010
phytanic acidbranched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid
2001201315.7low000120
ferric nitrilotriacetateiron chelatecarcinogenic agent;
mutagen
1989200524.7low010200
tetradecanoylphorbol acetateacetate 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
1982201128.2low0520710
fluorideshalide anion;
monoatomic fluorine
1981198143.0low020000
1-deoxynojirimycin2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid
anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite
1990199034.0low101000
iodinehalide anion;
monoatomic iodine
human metabolite2014201410.0low000010
razoxaneN-alkylpiperazine2001200123.0low000100
phosphotyrosineL-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine
Escherichia coli metabolite;
immunogen
1995199529.0low001000
phenyl acetatebenzenes;
phenyl acetates
1958202235.0low02491362
cetylpyridinium chloride anhydrouschloride salt;
organic chloride salt
antiseptic drug;
surfactant
2004201512.8low100130
ethyl hexanoatefatty acid ethyl ester;
hexanoate ester
metabolite202120213.0low000001
pyrrolidineazacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
2003200321.0low000100
nonanalmedium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde
human metabolite;
plant metabolite
2014201410.0low000020
tetradecanal2,3-saturated fatty aldehyde;
long-chain fatty aldehyde
bacterial metabolite;
plant metabolite
2009200915.0low000100
ursodeoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
1994199430.0low101000
pyreneortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
2007200717.0low000100
4-methoxyamphetamine2004200420.0low000100
8-bromo cyclic adenosine monophosphate3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound
antidepressant;
protein kinase agonist
1989200426.6low012200
6-methoxy-2-naphthylacetic acidmethoxynaphthalene;
monocarboxylic acid
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
2005200519.0low000100
transferrin1982201929.2low055220
n-methyl-n-(trimethylsilyl)trifluoroacetamidemonocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide
chromatographic reagent1997199727.0low001000
9,10-dihydro-9,10-dihydroxybenzo(a)pyrene1989198935.0low010000
androstane-3,17-diol17-hydroxy steroid;
3-hydroxy steroid;
androstanoid
201620168.0low000010
alkenes1992201518.0low001330
glutamic acidglutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
1995202310.5low001253
azoxymethane1984201223.3low011410
torpedo1997200523.0low001100
sodium azideinorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
1996201122.0low002110
azidespseudohalide anionmitochondrial respiratory-chain inhibitor1990199729.7low003000
norflurazone(trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound
agrochemical;
carotenoid biosynthesis inhibitor;
herbicide
1985198539.0low010000
vanadyl sulfatemetal sulfate;
vanadium coordination entity
1990199034.0low001000
ferrozine2004200718.0low000300
4-vinyl-2,6-dimethoxyphenolmethoxybenzenes;
phenols
202220222.0low000001
3,4,3',4'-tetrachlorobiphenyldichlorobenzene;
tetrachlorobiphenyl
2001200819.5low000200
4-ipomeanolaromatic ketone1997199727.0low001000
paclitaxeltaxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
200920199.7low000160
promegestone20-oxo steroid;
3-oxo-Delta(4) steroid
antineoplastic agent;
progesterone receptor agonist;
progestin
1990199034.0low001000
ribavirin1-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
1982202321.5low010001
phorbol 12,13-dibutyratebutyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
1988200328.5low010100
bezafibratearomatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
1996200822.1low003400
sq-117252000200024.0low101000
1-methyl-4-phenylpyridiniumpyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
2014201410.0low000010
ng-nitroarginine methyl esteralpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor1997201816.5low001010
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acidchromanol;
monocarboxylic acid;
phenols
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
1997202016.8low004870
dh 9901984198440.0medium010000
diisopropanolnitrosaminediol;
nitrosamine;
secondary alcohol
carcinogenic agent2001200123.0low000100
enkephalin, methionine1987198737.0low010000
dihydroalprenolol1995199728.0low002000
nitrosobis(2-oxopropyl)amineketone;
nitrosamine
carcinogenic agent1994200625.7low002100
captoprilalkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
1994199430.0low001000
bw-755c1986198837.0low020000
colforsinacetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol
adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
1984200128.0low014200
piroctone olamine202220222.0low100001
fomesafenaromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols
agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
1991199133.0low001000
lovastatindelta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
1987202318.6low013221
2-amino-3-methylimidazo(4,5-f)quinolineimidazoquinolinecarcinogenic agent1992199927.8low005000
n-nitrosobis(2-oxobutyl)amine2000200024.0medium001000
simvastatindelta-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
1997201420.4low002210
idazoxanbenzodioxine;
imidazolines
alpha-adrenergic antagonist2012201212.0low000010
pravastatin3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)
anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
1993199629.5low202000
mifepristone3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
1987198737.0low010000
fura-21993201123.3low002010
adapaleneadamantanes;
monocarboxylic acid;
naphthoic acid
dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
202320231.0low000001
loxiglumideorganic molecular entity2004200420.0low000100
clopidogrelmethyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
201720177.0low000010
gemcitabineorganofluorine 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
201220208.0low000020
atorvastatinaromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)
environmental contaminant;
xenobiotic
201820224.0low100011
irinotecancarbamate 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
201920204.5low000020
pobilukast1989198935.0low010000
darglitazone1999199925.0low001000
adenosineadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
1984199236.0low011000
n-butyllithium2013201311.0low000010
sudan black bazobenzenes;
bis(azo) compound;
perimidines
histological dye2000200024.0low001000
1-octen-3-oneolefinic compound2002200222.0low000100
3-n-butylphthalidebenzofurans201620168.0low000010
pyranineorganic sodium saltfluorochrome1998199826.0low001000
potassium superoxide1992199232.0low001000
vanadatestrivalent 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
1984200232.2low021100
ruthenium chloride (rucl3)2012201212.0low000010
benzylaminopurine6-aminopurinescytokinin;
plant metabolite
201520159.0low000010
caloreen1986198638.0low010000
trazodone hydrochloridehydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
1963202220.8low031481
methylprednisolone aceponatecorticosteroid hormone1995199529.0low101000
3,4,5,3',4'-pentachlorobiphenylpentachlorobiphenyl;
trichlorobenzene
1997199926.0low002000
glucose, (beta-d)-isomerD-glucopyranoseepitope;
mouse metabolite
1987201825.2low034310
mevastatin2-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
1987200329.0low010100
ursolic acidhydroxy monocarboxylic acid;
pentacyclic triterpenoid
geroprotector;
plant metabolite
2007200717.0low000100
cyclenazacycloalkane;
crown amine;
saturated organic heteromonocyclic parent
2014201410.0low000010
thiazolyl blueorganic bromide saltcolorimetric reagent;
dye
2000200820.7low001200
thymidine 5'-triphosphatepyrimidine 2'-deoxyribonucleoside 5'-triphosphate;
thymidine phosphate
Escherichia coli metabolite;
mouse metabolite
1996199628.0low001000
3-methylhistidineL-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion
human metabolite;
Saccharomyces cerevisiae metabolite
1993199331.0low001000
betulinic acidhydroxy 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
2002200222.0low000100
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent201120189.5low000020
epigallocatechin gallateflavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
2003202111.5low000312
n-acetylaspartic acidN-acetyl-L-amino acid;
N-acyl-L-aspartic acid
antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
201820186.0low000010
fluorexonxanthene dyefluorochrome2005200519.0low000100
cholesteryl succinatecholestane ester;
dicarboxylic acid monoester;
hemisuccinate
detergent1993201721.0low002010
gallocatecholgallocatechinantioxidant;
metabolite;
radical scavenger
2001200123.0low000100
xanthotoxol8-hydroxyfurocoumarin2010201014.0low000100
25-hydroxycholesterol25-hydroxy steroid;
oxysterol
human metabolite1987198737.0low020000
10,10'-dimethyl-9,9'-biacridinium1984199335.5low011000
leucine methyl esteralpha-amino acid ester;
L-leucine derivative;
methyl ester
1987198737.0low010000
bathocuproine1997199727.0low001000
pyrrolidine dithiocarbamatedithiocarbamic acids;
pyrrolidines
anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger
2003200719.0low000200
peroxynitric acidnitrogen oxoacid1999199925.0low001000
glutathione disulfideglutathione derivative;
organic disulfide
Escherichia coli metabolite;
mouse metabolite
1992200326.5low001100
12-(9-anthroyl)stearic acid1991199133.0medium001000
cephalosporin ccephalosporinfungal metabolite202220222.0low000001
raxofelast1999199925.0low001000
telmisartanbenzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
202020204.0low000010
nicanartine1998199826.0medium001000
methacycline1,2-diglyceride2003200321.0low000100
salicylhydroxamic acidhydroxamic acid;
phenols
antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
1986200031.0low011000
1,7-phenanthrolinephenanthroline1986202322.0low011001
triazoles1,2,3-triazole1998201121.0low002010
isopimpinellinpsoralens2012201212.0low000010
rubrene2009200915.0low000100
duroquinone1,4-benzoquinones1983200430.5low010100
delphinidinanthocyanidin chloride1963196361.0low010000
sesamolbenzodioxoles1999199925.0low001000
1,2-dithiol-3-thione1,2-dithiole2001200123.0low000100
silver1994199927.5low102000
ubiquinone-oubiquinonesEscherichia coli metabolite;
human metabolite
1998199826.0low001000
beta-hydroxyisovaleric acid3-hydroxy monocarboxylic acidhuman metabolite2006200618.0low000100
2-hydroxy-4-methoxybenzaldehydemethoxybenzenes;
phenols
2006200618.0low000100
cromakalim201820186.0low000010
asparkam1985198539.0medium010000
tyloxapol1995199529.0low001000
masoprocolnordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
1986200429.1low0413400
trichlorosucrosedisaccharide derivative;
organochlorine compound
environmental contaminant;
sweetening agent;
xenobiotic
201820186.0low000010
aceclofenacamino 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
2007200717.0low000100
2-tetradecylglycidic acid1990199034.0low001000
methotrimeprazinephenothiazines;
tertiary amine
anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
2003200321.0low000100
sesaminbenzodioxoles;
furofuran;
lignan
antineoplastic agent;
neuroprotective agent;
plant metabolite
1998200323.0low002300
lycorineindolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
2008200816.0low000100
cyclopentenyl cytosine1996199628.0low001000
nicosulfuronN-sulfonylurea;
pyridines;
pyrimidines
environmental contaminant;
herbicide;
xenobiotic
2007200816.5low000200
strictinin2004200420.0low000100
brusatoltriterpenoid201820186.0low000010
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acidharmala alkaloid1999199925.0low001000
perfluorooctane sulfonic acidperfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
201720177.0low000010
n-acetylhistidineL-histidine derivative;
N-acetyl-L-amino acid;
N-acetylhistidine
animal metabolite2003200321.0low000100
9-oxononanoic acidaldehydic acid;
medium-chain fatty acid;
omega-oxo fatty acid
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor2013201311.0medium000010
1-hydroxybenzotriazolebenzotriazoles1998199826.0low001000
octadecyl palmitatehexadecanoate ester;
wax ester
coral metabolite;
cosmetic
1953196366.0low020000
6-carboxyfluoresceinmonocarboxylic acid1990199034.0low001000
benzoyltyrosine ethyl esterbenzamides;
ethyl ester;
L-tyrosine derivative;
phenols
chromogenic compound1984198440.0low010000
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
1995201817.6low003540
n-hydroxysuccinimide2008200816.0low000100
3,7-dimethyl-7-octen-1-ol2005200519.0low000100
2-bromopalmitate2-bromocarboxylic acid;
bromo fatty acid;
long-chain fatty acid;
straight-chain fatty acid
fatty acid oxidation inhibitor1987200923.7low010200
bexarotenebenzoic acids;
naphthalenes;
retinoid
antineoplastic agent201920195.0low000010
2-(4-toluidino)-6-naphthalenesulfonic acid202020204.0low000010
3,4-dihydroxyphenylethanolcatechols;
primary alcohol
antineoplastic agent;
antioxidant;
metabolite
2006201613.3low000210
biocytinazabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas
mouse metabolite2005200519.0low000100
clarithromycinmacrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
2014201410.0low000010
hexylphosphonic acid diethyl ester201920195.0medium000010
s-methyl benzo(1,2,3)thiadiazole-7-carbothioatebenzothiadiazole;
thioester
antifungal agrochemical;
plant activator;
profungicide
2000200024.0low001000
coenzyme aadenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
1963202241.0low081101
7,8-dihydromethysticin2-pyranones;
aromatic ether
2014201410.0low000010
va 0612002200222.0low000100
mebeverine201120189.7low000030
nicotine3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
2005200817.5low000200
nsc-172755201820186.0low100010
hexyl nicotinate1997199727.0low001000
fibrinogeniditolfungal metabolite1987201225.8low113010
7-ketocholesterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid
neuroprotective agent2005201714.0low000320
2-tyrosinenon-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative
2000200024.0low101000
2,2'-azobis(2,4-dimethylvaleronitrile)1994200524.6low003200
glycidamide2008200816.0low000100
3-phenylamino-1,2-propanediolglycol;
secondary amine
1996199628.0low001000
homocysteineamino acid zwitterion;
homocysteine;
serine family amino acid
fundamental metabolite;
mouse metabolite
200620189.0low000130
methylglucoside1997199727.0low001000
oryzemate1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone
antifungal agrochemical;
plant activator
2000200024.0low001000
acetylsalicylic acid lysinate1986198638.0low010000
delta-tocopheroltocopherol;
vitamin E
food antioxidant;
plant metabolite
201420188.0low000030
gamma-tocopheroltocopherol;
vitamin E
algal metabolite;
food antioxidant;
plant metabolite
2004202011.2low000240
nepetalactone2009200915.0low000100
totarolditerpenoidmetabolite1996199727.5low002000
annatto2002200222.0low000100
n(alpha)-acetyllysineacetyl-L-lysine;
amino acid zwitterion
human metabolite2003200321.0low000100
glycidyl nitrate202120213.0low000002
glycylsarcosinedipeptide zwitterion;
dipeptide
2003200321.0low000100
quinupraminedibenzooxazepine2007200717.0low000100
nsc 1531741962196262.0medium010000
cv 65041996200125.0high102100
stearoyl-coenzyme a11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA
Escherichia coli metabolite;
mouse metabolite
2011201113.0low000010
pyrimidine dimers201620168.0low000010
dehydroabietic acidabietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid
allergen;
metabolite
2008200816.0low000100
glucuronic acidD-glucuronic acidalgal metabolite1999201514.7low001020
2,6-dichloroisonicotinic acidmonocarboxylic acid;
organochlorine compound;
pyridines
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor2000200024.0low001000
2-bromostearic acid1995199529.0medium001000
2,2,5,7,8-pentamethyl-1-hydroxychroman1998199826.0low001000
isosteviolditerpenoid201820186.0low000010
arctiinglycoside;
lignan
202320231.0low000001
karanjinextended flavonoid201520159.0low000010
1,3-dioctadecanoylglycerol2003200321.0medium000100
cobaltcobalt group element atom;
metal allergen
micronutrient1961202226.5low021111
hydrogen sulfitesulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2010201014.0low000100
yttrium radioisotopes1994199430.0low001000
u 73122aromatic ether;
aza-steroid;
maleimides
EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2008201512.5low000110
vitamin b 61951200642.4low040400
1,4-dihydropyridine1999199925.0low001000
sr141716amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles
anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
201820186.0low000010
u 74006fcorticosteroid hormone1989199432.5low011000
diacetyldichlorofluorescein2000200024.0low001000
u 74389f2001200123.0low000100
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazoleether;
imidazoles;
monomethoxybenzene
TRP channel blocker1995199529.0low001000
laurdan2001200123.0low000100
prolinedithiocarbamate2009200915.0low000100
dihydrorhodamine 1232005200519.0low000100
cyanates2001200123.0low000100
1,n(6)-ethenodeoxyadenosinepurines1999200721.7low001200
thiamethoxam1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane
antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
201620168.0low000010
u 78517f1994199430.0low001000
22-hydroxycholesterolcholanoid1989198935.0low010000
propionylcarnitineO-acylcarnitineanalgesic;
antirheumatic drug;
cardiotonic drug;
human metabolite;
peripheral nervous system drug
2000200024.0low001000
3,n(4)-ethenodeoxycytidine1999200721.0low001100
1,n(2)-propanodeoxyguanosinecarbohydrate derivative;
nucleobase-containing molecular entity
1999200223.5low001100
procyanidinproanthocyanidin2002201416.6low000410
epicatechin gallatecatechin;
gallate ester;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
2007200816.5low000200
u 74500a1989199432.5low011000
parinaric acidoctadecatetraenoic acid1984199631.8low015000
dihydrocapsaicincapsaicinoid2002200222.0low000100
proanthocyanidin2002200819.0low000200
1-hexadecyl-2-acetyl-glycero-3-phosphocholine2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
1992200426.4low006100
deoxyglucose1988200525.3low010200
5,6-dihydroxyindoledihydroxyindolemouse metabolite1997199727.0low001000
2,3-bis(3'-hydroxybenzyl)butyrolactonelignan1999201716.0low001010
valeratesshort-chain fatty acid anion;
straight-chain saturated fatty acid anion
plant metabolite1990200626.0low001100
thromboxanes1981200832.1low196400
chymosin2009201313.0low000110
ruthenium tetraoxide1991199133.0low001000
cucurbitacins11-oxo steroid2007200717.0low000100
caprylatesfatty acid anion 8:0;
straight-chain saturated fatty acid anion
human metabolite;
Saccharomyces cerevisiae metabolite
1963201628.7low084970
5,6-dihydroxy-2-indolylcarboxylic aciddihydroxyindolemouse metabolite1997199727.0low001000
tris(2-carboxyethyl)phosphinephosphine derivative;
tricarboxylic acid
reducing agent201520159.0low000010
emeriamine1998199826.0low001000
12-(9-anthroyloxy)stearic acid1988198836.0low010000
protoporphyrinogenporphyrinogensEscherichia coli metabolite;
mouse metabolite
1984198440.0low010000
phytosphingosineamino alcohol;
sphingoid;
triol
mouse metabolite;
Saccharomyces cerevisiae metabolite
2012201212.0low000010
dansylsarcosine1993201122.0low001010
chlorodimedone1994199430.0low001000
florox reagent2001200123.0low000100
3,7,12-trihydroxycholestan-26-oic acid12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
hydroxy monocarboxylic acid;
steroid acid
human metabolite1988198836.0low010000
phenoxy radicalorganic radical1989199830.0low013000
carbenecarbene;
methanediyl
2013201311.0low000010
peroxynitrous acidnitrogen oxoacid2000200919.8low001300
2-palmitoylglycerol2-acylglycerol 16:0algal metabolite201520159.0low000010
fullerene c60fullerenegeroprotector1999201218.5low001010
2,3-bis(3'-hydroxybenzyl)butane-1,4-diollignan1999201616.5low001010
n(6)-carboxymethyllysineL-lysine derivative;
non-proteinogenic L-alpha-amino acid
antigen201320236.0low000011
glycerophosphoethanolaminephosphoethanolamine;
sn-glycerol 3-phosphates
2002200222.0low000100
f-chemotactic peptide1991199133.0low001000
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanonedichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols
eukaryotic metabolite;
signalling molecule
1998199826.0low001000
hydroxycitric acidcarbonyl compound2000200024.0low001000
dodecyloctaethyleneglycol monoetherhydroxypolyether1994199430.0low001000
pristanic acidbranched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid
human metabolite2011201113.0low000010
27-hydroxycholesterol26-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent
2006200618.0low000100
3-carboxy-4-methyl-5-propyl-2-furanpropionic aciddicarboxylic acid;
furoic acid
human metabolite;
uremic toxin
201620168.0low000010
tetrahydrocurcuminbeta-diketone;
diarylheptanoid;
polyphenol
metabolite2007200717.0low000100
glucogallin2002200222.0low000100
glutamyl-valyl-asparaginyl-phenylalanyl-seryl-prolyl-asparaginyl-tryptophanamide1997199727.0low001000
glutamyl-leucyl-threonyl-phenylalanyl-threonyl-prolyl-asparaginyl-tryptophanamide1997199727.0medium001000
glycerophosphoinositol 4,5-bisphosphate1994200027.0low002000
methotrexatedicarboxylic 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
1997201319.0low001010
8-chloro-4-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo(f)quinolin-3(2h)-one2007200717.0medium000100
3,4,5-tri-o-galloylquinic acid2005200519.0medium000100
s 209281999200124.0medium001100
rg 68661992199232.0medium001000
bwa 137c1988198836.0medium010000
omega-n-methylarginineamino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
2000200024.0low001000
13-hydroxyeicosatetraenoic acid1998199826.0medium001000
15-hydroxyeicosatrienoic acid2007200717.0low000100
xyloseD-xylose2004201216.0low000110
duroquinolhydroquinones;
methylbenzene
bacterial xenobiotic metabolite;
volatile oil component
1983198341.0low010000
phytol2003200520.0low000200
prolineamino 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
1991202013.0low001250
cucurbitaceae2001202011.7low000240
docetaxel anhydroussecondary alpha-hydroxy ketone;
tetracyclic diterpenoid
antimalarial;
antineoplastic agent;
photosensitizing agent
201320226.3low000021
1,3-dicapryloylglycerol1,3-diglycerideBrassica napus metabolite;
excipient
2001200123.0medium000100
phorbolsditerpene;
terpenoid fundamental parent
1982198242.0low010000
ly 3117272003200321.0low000100
naproxenmethoxynaphthalene;
monocarboxylic acid
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
2004200420.0low000200
hydroxyl radicaloxygen hydride;
oxygen radical;
reactive oxygen species
1985202317.8low02722121
singlet oxygenchalcogen;
monoatomic oxygen;
nonmetal atom
macronutrient1988201519.0low013550
eritadenine1998199826.0low001000
fenton's reagent1992201618.2low001220
cerous chloridecerium coordination entity2003200321.0low000100
platycodin dtriterpenoid saponinmetabolite202320231.0low000001
pyrenedecanoic acid1988198836.0low010000
ferric thiocyanate1999201515.3medium001440
dehydrodieugenolbiphenyls2003200321.0low000100
anacardic acidhydroxy monocarboxylic acid;
hydroxybenzoic acid
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
2005200519.0low000100
trimethylsilyldiazomethane2000200123.5low001100
n-acetyl-n-formyl-5-methoxykynurenaminearomatic ketone202320231.0low000001
biotinbiotins;
vitamin B7
coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
1985200033.8low031000
angiotensin iiamino acid zwitterion;
angiotensin II
human metabolite1983202022.9low021220
campesterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C28-steroid;
phytosterols
mouse metabolite2002201614.0low000440
3-n-butyl-4,5-dihydrophthalide2005200519.0low000100
7-hydroxy-5,11-dioxotetranorprostane-1,16-dioic acidprostanoid201620168.0low100010
lignin1999201614.6low001130
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
2008200816.0low000100
homocysteic acidhomocysteic acidNMDA receptor agonist2006200618.0low000100
organophosphonatesdivalent inorganic anion;
phosphite ion
2011201113.0low000010
limoninepoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound
inhibitor;
metabolite;
volatile oil component
2006200618.0low000100
aflatoxin b1aflatoxin;
aromatic ether;
aromatic ketone
carcinogenic agent;
human metabolite
2005200519.0low000100
octadeca-5,8-dienoic acid1986202120.5high010001
3-hydroxyterphenyllincatechols;
dimethoxybenzene;
para-terphenyl
Aspergillus metabolite2001200123.0medium000100
tetranorprostanedioic acid1982200334.0high020100
cohumulonesecondary alpha-hydroxy ketone2012201212.0low000010
fe(iii)-edtairon coordination entity2003200321.0low000100
aspalatone2001200123.0medium000100
deferasiroxbenzoic acids;
monocarboxylic acid;
phenols;
triazoles
iron chelator202120213.0low000001
cholic acid12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid
human metabolite;
mouse metabolite
1985201224.0low011110
deoxycholic acidbile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid
human blood serum metabolite1990200725.5low001100
estradiol 3-benzoate17beta-hydroxy steroid;
benzoate ester
estrogen receptor agonist;
xenoestrogen
202320231.0low000001
cortisone11-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
1955195867.5low020000
6-octadecynoic acidoctadecynoic acid2012201212.0medium000010
3-nitrotyrosine2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
2000200920.2low001300
5-hydroxymethylfurfuralarenecarbaldehyde;
furans;
primary alcohol
indicator;
Maillard reaction product
2001200123.0low000100
stigmastanol3-hydroxy steroid;
phytosterols
anticholesteremic drug;
plant metabolite
2009201412.5low000110
lanosterol14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid
bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1986198638.0low010000
2-hydroxyestradiol17beta-hydroxy steroid;
2-hydroxy steroid
carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
2012201212.0low000010
anisomycinmonohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic
anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
1993200823.5low001100
benzofurans1999201616.0low001420
lupeolpentacyclic triterpenoid;
secondary alcohol
anti-inflammatory drug;
plant metabolite
1998199925.5low002000
calendula2001201718.0low000310
pifithrin mubenzenes201620168.0low000010
10-ketostearic acidlong-chain fatty acid2002202014.7high000210
colupulonebeta-bitter acid2012201212.0low000010
sakacin aaspartic acid derivative1999199925.0low001000
dihydropyridines1999200820.5low001100
leupeptins2006201215.0low000110
lithium chlorideinorganic chloride;
lithium salt
antimanic drug;
geroprotector
2007200717.0low000100
s-adenosylhomocysteineadenosines;
amino acid zwitterion;
homocysteine derivative;
homocysteines;
organic sulfide
cofactor;
EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor;
EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor;
epitope;
fundamental metabolite
201720177.0low000010
glycogen1965201923.4low011610
arabinoseL-arabinoseEscherichia coli metabolite;
mouse metabolite
2012201212.0low000010
n-acetylneuraminic acidN-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite
1984198937.5low020000
bradykininoligopeptidehuman blood serum metabolite;
vasodilator agent
1981201032.8low041100
amylopectin202220222.0low000001
glucosamineD-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
1985202222.8low111101
elastinoligopeptide202020204.0low000010
carnosineamino acid zwitterion;
dipeptide
anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
1994199529.3low003000
mevalonic acid3,5-dihydroxy-3-methylpentanoic acid1963200836.4low052200
naringenin(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
2010201611.7low000120
oxytocinheterodetic cyclic peptide;
peptide hormone
oxytocic;
vasodilator agent
1993202018.6low001520
pantetheinepantetheines;
thiol
human metabolite;
metabolite;
mouse metabolite
1989199134.0low011000
inositol 1,4,5-trisphosphatemyo-inositol trisphosphatemouse metabolite1995201416.2low001030
ouabain11alpha-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
1986199235.0low132000
casein hydrolysate2014201410.0low000010
taxifolintaxifolinmetabolite2009200915.0low000100
tartaric acidtartaric acidEscherichia coli metabolite2001200123.0low000100
pentostatincoformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
1992199232.0low001000
mannosamineD-mannosamine1985200827.5low010100
inositol 3-phosphate202020204.0low000010
dehydroascorbic aciddehydroascorbic acid;
vitamin C
coenzyme;
mouse metabolite
1986198638.0low010000
cellulasecellotriose2008200915.5low000200
monensincyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal
antifungal agent;
coccidiostat;
ionophore
1999202216.2low101211
miglitolpiperidines1990199034.0low101000
mometasone furoate11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester
anti-allergic agent;
anti-inflammatory drug
201920195.0low100010
ryanodine1991199133.0low001000
silychristin1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone
lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger
2009200915.0low000100
pulegonep-menth-4(8)-en-3-one2005200519.0low000100
gingerolbeta-hydroxy ketone;
guaiacols
antineoplastic agent;
plant metabolite
2000200024.0low001000
lignans1998201718.9low003430
n-formylmethionine leucyl-phenylalaninetripeptide1987200229.8low119100
petunidin-3-glucosideanthocyanin cation;
aromatic ether;
beta-D-glucoside
antioxidant;
metabolite
2002200222.0low000100
malvidin-3-glucosideanthocyanin cation;
aromatic ether;
beta-D-glucoside
metabolite2002200222.0low000100
betadexcyclodextrin2002201914.8low000420
e-z cinnamic acidcinnamic acidplant metabolite201520159.0low000020
ergosterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols
fungal metabolite;
Saccharomyces cerevisiae metabolite
1998202211.9low001361
tretinoinretinoic 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
1987201826.8low123010
arachidonic acidicosa-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
1947202325.8low3923433420517732
alpha-cyclodextrincyclodextrin2002200222.0low000100
fumaric acidbutenedioic acidfood acidity regulator;
fundamental metabolite;
geroprotector
201520159.0low000010
resveratrolresveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
2001202311.4low000342
retinolretinol;
vitamin A
human metabolite;
mouse metabolite;
plant metabolite
1951202328.5low411141072
cyanoginosin lrmicrocystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
201520159.0low000010
docosahexaenoatedocosahexaenoic acid;
omega-3 fatty acid
algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
2008200816.0low000100
palmitoleic acidhexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite
1980202218.7medium181818284
oleic acidoctadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
1947202424.2medium5722626625829949
ferulic acidferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
2002202012.6low000340
pectinsD-galactopyranuronic acid1984201521.3low020130
1,5-dihydro-fadflavin adenine dinucleotideEscherichia coli metabolite;
mouse metabolite
2009200915.0low000100
cocainebenzoate 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
2012201212.0low000010
eicosapentaenoic acidicosapentaenoic acid;
omega-3 fatty acid
anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1980202319.9low342793669314
thapsigarginbutyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone
calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
2001201314.8low000230
mycophenolic acid2-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
202120213.0low000001
clindamycin2011201113.0low100010
gw 6471201720177.0low000010
lycopeneacyclic caroteneantioxidant;
plant metabolite
2006201811.0low000240
fosfomycinepoxide;
phosphonic acids
antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
2003200321.0low000100
zithromaxmacrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
201720177.0low100010
2-butenalenal1999201518.7low001110
y 27632aromatic amide2012201212.0low000010
prostaglandin d2prostaglandins Dhuman metabolite;
mouse metabolite
2001200222.2low000500
h 89N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide201720177.0low000010
decitabine2'-deoxyribonucleoside2013201410.5low000020
pantethineorganic disulfidecoenzyme;
nutraceutical
1989199134.0low011000
iridoids1993201319.0low001110
dactinomycinactinomycinmutagen1992199232.0low001000
gamma-sitosterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols
marine metabolite;
plant metabolite
1958201916.7low011670
azaserinecarboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid
antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
1990199431.3low003000
enkephalin, leucinepentapeptide;
peptide zwitterion
analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
1987198737.0low010000
benzyloxycarbonylleucyl-leucyl-leucine aldehydeamino aldehyde;
carbamate ester;
tripeptide
proteasome inhibitor2006201215.0low000110
riboflavinflavin;
vitamin B2
anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
1983201520.3low011220
lisofylline1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dioneanti-inflammatory agent;
immunomodulator
1997202112.2low001111
sodium bicarbonateone-carbon compound;
organic sodium salt
antacid;
food anticaking agent
1983200527.3low010200
4,5-epoxy-2-decenalenal2001200123.0low000100
cholestane-3,5,6-triol1993199629.3low003000
bromochloroacetic acid2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
1989200327.8low011200
3-carbamoyl-2,2,5,5-tetramethyl-3-pyrroline-1-yloxyl2005200618.5low000200
alpha-asaroneasaroneanticonvulsant;
GABA modulator
2013201311.0low000010
cinnamaldehyde3-phenylprop-2-enal;
cinnamaldehydes
antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
201620168.0low000010
elaidic acidoctadec-9-enoic acidfood component1980202117.5medium3286122
trans-4-coumaric acid4-coumaric acidfood component;
mouse metabolite;
plant metabolite
1999201514.7low001020
dimethyl fumaratediester;
enoate ester;
methyl ester
antipsoriatic;
immunomodulator
1999199925.0low001000
glycosides1993202319.1low002511
sinapinic acidsinapic acidMALDI matrix material;
plant metabolite
2002200222.0low000100
isomethyleugenolisomethyleugenol1986201820.6low017930
citralenal;
monoterpenoid;
polyprenal
plant metabolite;
volatile oil component
2004201216.0low000110
retinol acetateacetate ester1989198935.0low010000
squalenetriterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1953202124.0low042362
stilbenesstilbene2001202212.2low000351
phenyl-n-tert-butylnitrone1990200825.0low001100
sorbic acidalpha,beta-unsaturated monocarboxylic acid;
sorbic acid
1982198242.0low010000
ricinoleic acid(9Z)-12-hydroxyoctadec-9-enoic acid1953201430.9low032510
flavin-adenine dinucleotideflavin adenine dinucleotide;
vitamin B2
cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group
2009201512.0low000110
cannabidiololefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
202120213.0low000001
malonyl coenzyme amalonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
1982199735.2low032000
arginine vasopressinvasopressincardiovascular drug;
hematologic agent;
mitogen
1982200333.2low021100
pyrophosphatediphosphate ion1963199949.0low021000
palmitoyl coenzyme a11,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate
Escherichia coli metabolite;
mouse metabolite
1986200927.4low012200
gw9662benzamides2004201416.0low000310
amygdalin202120213.0low000001
polidocanolhydroxypolyetherhepatotoxic agent;
nonionic surfactant;
sclerotherapy agent
1998199826.0low001000
sodium metabisulfiteinorganic sodium saltfood antioxidant1990200228.0low001100
propylthiouracilpyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
1988198836.0low010000
nsc 43472010201213.0low000120
arachin2012201212.0low000010
sesquiterpenes2003201415.6low000520
3,3',4,5'-tetrahydroxystilbenecatechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
2008200816.0low000100
caffeic acidcaffeic acidgeroprotector;
mouse metabolite
1984201523.7low012310
pongamol201520159.0medium000010
curcuminaromatic 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
1995202315.3low004223
curcuminaromatic 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
1995202314.5low004233
nootkatonecarbobicyclic compound;
enone;
sesquiterpenoid
fragrance;
insect repellent;
plant metabolite
2014201410.0low000010
thiouracilnucleobase analogue;
thiocarbonyl compound
antithyroid drug;
metabolite
1963196361.0low010000
sulindacmonocarboxylic acid;
organofluorine compound;
sulfoxide
analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
2000200024.0low001000
capsaicincapsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
1999201819.1low002410
oxazolone2002200222.0low000100
caryophyllene oxideepoxidemetabolite2009200915.0low000100
chlorogenic acidcinnamate ester;
tannin
food component;
plant metabolite
1984202316.0low010102
thioguanine anhydrous2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
1984198440.0low010000
thiobarbituric acidbarbituratesallergen;
reagent
1989201423.4low014230
thioureaone-carbon compound;
thioureas;
ureas
antioxidant;
chromophore
1964201629.7low010110
D-fructopyranosecyclic hemiketal;
D-fructose;
fructopyranose
sweetening agent1997202312.3low001312
thioacetamidethiocarboxamidehepatotoxic agent1959195965.0low010000
digoxincardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
1987198836.5low020000
capsazepinebenzazepine;
catechols;
monochlorobenzenes;
thioureas
capsaicin receptor antagonist2007200717.0low000100
fumonisin b1diester;
fumonisin;
primary amino compound;
triol
carcinogenic agent;
metabolite
1999201315.2low001120
sodium taurodeoxycholatebile acid taurine conjugatehuman metabolite2007200717.0low000100
nadp1964200336.3low089100
1,1-diphenyl-2-picrylhydrazyl1995202114.8low00279482
t 0070907carbonyl compound;
organohalogen compound
2008200816.0low000100
fusidic acid11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester
EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
1992199232.0low001000
lincomycincarbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound
antimicrobial agent;
bacterial metabolite
2002200222.0low100100
valinomycincyclodepsipeptide;
macrocycle
antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
1987198737.0low010000
ranitidineC-nitro compound;
furans;
organic sulfide;
tertiary amino compound
anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
1986200727.5low010100
u 0126aryl sulfide;
dinitrile;
enamine;
substituted aniline
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
2009200915.0low000100
laccase1998199826.0low001000
lithiumalkali metal atom1984199336.0low021000
cobaltous chloridecobalt salt;
inorganic chloride
allergen;
calcium channel blocker;
sensitiser;
two-colour indicator
2005200519.0low000100
nitrogen dioxidenitrogen oxide1982201423.8low011210
orlistatbeta-lactone;
carboxylic ester;
formamides;
L-leucine derivative
anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
202220222.0low000001
loreclezole2000200024.0low001000
quininecinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
2006200916.5low000200
tauro-24,25-dihydrofusidate1992199232.0low001000
9-diazomethylanthracene1990199034.0low001000
cystine1982198242.0low010000
safingolamino alcohol2010201014.0low000100
cytellin1958201915.6low011890
salinomycinpolyketide;
spiroketal
animal growth promotant;
potassium ionophore
202020204.0low000010
ovalbumin1987201719.4low112340
sodium dodecyl sulfateorganic sodium saltdetergent;
protein denaturant
1985201225.9low045610
4-nitrocatecholC-nitro compound;
catechols
human xenobiotic metabolite;
lipoxygenase inhibitor
1986198638.0low010000
crocin2000200024.0low001000
mtt formazan1997199727.0low001000
l 663536aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
1998200820.2low001300
fg 9041quinoxaline derivative2005200519.0low000100
alpha-chymotrypsin1993201419.0low001310
17-ketosteroids2007200717.0low000100
sodium borohydrideinorganic sodium salt;
metal tetrahydridoborate
2007200717.0low000100
hydroxyethylcellulose201620168.0low000010
digitoxigenin14beta-hydroxy steroid;
3beta-hydroxy steroid
201620168.0low000010
1-cyclohexyl-3-dodecylurea2004200420.0medium000100
2-mercaptoacetatemonocarboxylic acid anion2014201410.0low000010
dimethyl maleatediester;
maleate ester;
methyl ester
1997199727.0low001000
farnesoic acidfarnesoic acidanimal metabolite2003200321.0low000100
sphingosinesphing-4-eninehuman metabolite;
mouse metabolite
1985202319.6low023113
quercetin7-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
1995202313.5low001853
bilirubinbiladienes;
dicarboxylic acid
antioxidant;
human metabolite;
mouse metabolite
1987201626.8low133120
dinoprostoneprostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
1981201926.0low721313570
dinoprostmonocarboxylic acid;
prostaglandins Falpha
human metabolite;
mouse metabolite
1984201425.3low46101620
leukotriene a4epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid
human metabolite;
mouse metabolite;
plant metabolite
200920228.5low000101
12-oxophytodienoic acidcarbocyclic fatty acid;
olefinic fatty acid;
oxo carboxylic acid
2008201512.5low000110
apigenintrihydroxyflavoneantineoplastic agent;
metabolite
202220231.5low000002
calcitriolD3 vitamins;
hydroxycalciol;
triol
antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
1983202225.8low012001
calcitriolD3 vitamins;
hydroxycalciol;
triol
antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
1983199633.7low012000
vitamin k semiquinone radical1951201840.8low031010
beta carotenecarotenoid beta-end derivative;
cyclic carotene
antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
1987202314.9low211056497
leukotriene b4dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid
human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
1985201430.0low3914710
leukotriene c4leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite
2003200321.0low000100
thromboxane a2epoxy monocarboxylic acid;
thromboxanes A
mouse metabolite1982200331.2low126100
retinol palmitateall-trans-retinyl ester;
retinyl palmitate
antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
1999201718.5low002110
coniferaldehydecinnamaldehydes;
guaiacols;
phenylpropanoid
antifungal agent;
plant metabolite
2003200321.0low000100
8,11,14-eicosatrienoic acidfatty acid 20:3;
long-chain fatty acid
fungal metabolite;
human metabolite;
nutraceutical
1980202124.9low4272510223
vitamin k1 hydroquinonenaphthohydroquinone;
polyprenylhydroquinone
1985198539.0low010000
rumenic acidoctadeca-9,11-dienoic acid2005201816.1low100720
furylfuramideacrylamides;
C-nitro compound;
nitrofuran antibiotic;
primary carboxamide
2005200519.0low000100
15-keto-13,14-dihydroprostaglandin e2prostaglandins E1988198836.0low010000
15-ketoprostaglandin e2prostaglandins E2007200717.0low000100
alprostadilprostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
1984200532.9low284200
5-hydroxy-6,8,11,14-eicosatetraenoic acidHETEhuman metabolite;
mouse metabolite
1985201326.8low024210
vitamin d 2hydroxy seco-steroid;
seco-ergostane;
vitamin D
bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
1963196460.8low050000
stigmasterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol
plant metabolite2002202011.0low000250
cholecalciferolD3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone
geroprotector;
human metabolite
1963201230.0low110110
rutindisaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone
antioxidant;
metabolite
1991202217.7low001101
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
201420188.0low000020
prostaglandin a2prostaglandins Ahuman metabolite2007200717.0low000100
9-deoxy-delta-9-prostaglandin d2prostaglandins Jhuman metabolite2002200222.0low000100
15-ketoprostaglandin f2alphaprostaglandins Falpha2004200420.0low000100
6-ketoprostaglandin f1 alphaprostaglandins Falphahuman metabolite;
mouse metabolite
1982200831.2low388500
11-dehydro-thromboxane b2thromboxanehuman metabolite1996199926.5low102000
arachidonic acid omega-9 hydroperoxideHPETEmouse metabolite1991200924.0low001100
zeaxanthincarotenolantioxidant;
bacterial metabolite;
cofactor
2006200817.3low000300
lipoxin a4hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid
human metabolite;
metabolite
201320179.3low000030
gamma-linolenic acidlinolenic acid;
omega-6 fatty acid
human metabolite;
mouse metabolite;
plant metabolite
1965202325.9medium15324723194
alpha-linolenic acidlinolenic acid;
omega-3 fatty acid
micronutrient;
mouse metabolite;
nutraceutical
1945202319.9high639720322826638
prostaglandin f1prostaglandins Falphahuman metabolite1987201324.0low110010
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
2001201815.8low000220
amphotericin bantibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic
antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
1963201244.2low031010
pulmicort11beta-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
1995202315.0low101001
erucic aciddocosenoic acid1986202022.2low012210
nervonic acidtetracosenoic acid1997201618.3medium004330
petroselinic acidoctadec-6-enoic acidplant metabolite1993199828.5low002000
cyclobenzaprine9,11,13-octadecatrienoic acidantineoplastic agent;
plant metabolite
202020204.0low000010
11-octadecenoic acidvaccenic acid1998202115.8medium20121111
jasmonic acidoxo monocarboxylic acidjasmonates;
plant metabolite
2002202311.9low000762
2-hexenal, z-isomer2-hexenalantibacterial agent;
flavouring agent;
plant metabolite
2002202013.0low000110
astaxanthinecarotenol;
carotenone
animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
201320207.5low000020
luteincarotenolfood colouring;
plant metabolite
1993201819.3low002310
torularhodin201620168.0low000010
torulenecarotene;
polyene
201620168.0low000010
cucurbitacin bcucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
2007200717.0low000100
nsc 106399cucurbitacin;
tertiary alpha-hydroxy ketone
2007200717.0low000100
brassicasterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols
algal metabolite;
animal metabolite;
biomarker;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
human metabolite;
marine metabolite;
plant metabolite;
sterol biosynthesis inhibitor
202020204.0low000010
geranylgeraniolgeranylgeraniol1997199727.0low001000
esculetinhydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
1984199635.0low022000
humulenealpha-humulene2006200618.0low000100
humulenealpha-humulene2010201511.8low000130
oleuropeinbeta-D-glucoside;
catechols;
diester;
methyl ester;
pyrans;
secoiridoid glycoside
anti-inflammatory agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
NF-kappaB inhibitor;
nutraceutical;
plant metabolite;
radical scavenger
2009200915.0low000100
3-methylquercetin7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone
anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
2014201410.0low000020
morin7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
2011201113.0low000010
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
202220222.0low000001
caffeic acid phenethyl esteralkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
1993201122.0low001010
rosmarinic acidrosmarinic acidgeroprotector;
plant metabolite
2008201513.0low000220
acteosidecatechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol
anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
1993199331.0low001000
ellagic acidcatechols;
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
2014201410.0low000010
soraphen acyclic hemiketal;
ether;
macrolide;
olefinic compound
bacterial metabolite;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
teratogenic agent
2011201113.0low000010
coenzyme q10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
2000201218.0low001010
anandamideendocannabinoid;
N-acylethanolamine 20:4
human blood serum metabolite;
neurotransmitter;
vasodilator agent
201220238.2low000041
ceruleninepoxide;
monocarboxylic acid amide
antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
1983200231.5low010100
ethyl linoleatelong-chain fatty acid ethyl esteranti-inflammatory agent;
plant metabolite
1959199944.8low022000
8-epi-prostaglandin f2alphaF2-isoprostanebiomarker;
bronchoconstrictor agent;
vasoconstrictor agent
1998201419.4low001310
glyceryl 2-arachidonate2-acylglycerol 20:4;
endocannabinoid
human metabolite2009201412.0low000120
tocotrienol, alphatocotrienol;
vitamin E
ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite
2006200618.0low000100
4-hydroxyestradiol4-hydroxy steroidmetabolite2012201212.0low000010
isotretinoinretinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
1987199732.0low111000
2-decenoic acid2-decenoic acidhuman metabolite202120213.0low000001
cis-vaccenic acidvaccenic acid1982200335.0low030100
12-octadecenoic acidlong-chain fatty acid1987202217.7high010101
9,11-linoleic acidoctadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite
1987202119.7low224661
trans-10,cis-12-conjugated linoleic acidoctadeca-10,12-dienoic acid2005201816.2low100810
10,12-octadecadienoic acidlipid2002201117.5low000110
9-hydroperoxy-11,12-octadecadienoic acidhydroperoxy polyunsaturated fatty acid;
octadecadienoic acid
1986200627.5high028400
9-hydroxy-10,12-octadecadienoic acidHODE;
octadecadienoic acid
human metabolite;
metabolite;
mouse metabolite;
plant metabolite
1982202024.5high1317370
13-hydroxy-9,11-octadecadienoic acidoctadecadienoic acid1982202125.3high2105516121
9,10-dihydroxy-12-octadecenoic acidlong-chain fatty acid1999202016.7high001110
9,10,13-trihydroxy-11-octadecenoic acidlong-chain fatty acid;
monounsaturated fatty acid;
straight-chain fatty acid;
TriHOME
human blood serum metabolite202020204.0medium000010
9,12,13-trihydroxy-10-octadecenoic acid2012201212.0medium000010
9-oxo-10,12-octadecadienoic acidenone;
oxooctadecadienoic acid
metabolite1998201418.0medium001010
13-oxo-9,11-octadecadienoic acid13-oxo-9,11-octadecadienoic acid;
oxo fatty acid
metabolite1991200723.7high003300
12,13-epoxy-9-octadecenoic acidlong-chain fatty acid2000200222.6high001400
9,10-epoxy-12-octadecenoatemedium-chain fatty acid1988200226.8medium013100
15-keto-13,14-dihydroprostaglandin f2alphaketone;
prostaglandins Falpha
metabolite2002200720.0low100400
prostaglandin i3prostanoid1988198836.0low010000
2,3-dinor-6-ketoprostaglandin f1alpha4-oxo monocarboxylic acid;
prostanoid;
secondary alcohol
metabolite1989199134.0low011000
thromboxane b2thromboxanes Bhuman metabolite;
mouse metabolite
1981201331.2low71523510
2,3-dinor-thromboxane b2thromboxane1991199830.0low103000
14,15-dihydroxyeicosatrienoic acidDHET;
diol;
secondary allylic alcohol
mouse metabolite2003200321.0low000100
20-hydroxy-5,8,11,14-eicosatetraenoic acidHETE;
hydroxy monocarboxylic acid
human metabolite;
mouse metabolite
2001200322.0low000200
arachidonic acid 5-hydroperoxideHPETEhuman xenobiotic metabolite1991200127.2low004100
2-heptenalenal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde
plant metabolite;
uremic toxin
2012201212.0low000010
2-nonenal, (trans)-isomerenal;
medium-chain fatty aldehyde;
monounsaturated fatty aldehyde
plant metabolite2009200915.0low000100
3-nonenalfatty aldehyde2001200123.0medium000100
4-hydroxy-2-nonenal4-hydroxynon-2-enal;
4-hydroxynonenal
1988201922.7low016620
(2e)-decenal2-decenalalarm pheromone;
mutagen;
nematicide
2006200618.0low000100
2,4-decadienalpolyunsaturated fatty aldehydeapoptosis inducer;
nematicide
2001200818.3low000300
linoleoyl ethanolamideN-acylethanolamine 18:2EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor202020204.0low000010
1-monooleoyl-rac-glycerol1-acylglycerol 18:1;
monooleoylglycerol
plant metabolite2002200421.0low000200
monolinolein1-acylglycerol 18:2;
rac-1-monoacylglycerol
antiviral agent;
human metabolite;
plant metabolite
2011201510.7medium000030
sphingosine 1-phosphatesphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent
2010201014.0low000100
cholesteryl oleateCE(18:1);
cholesteryl octadec-9-enoate
mouse metabolite2004201515.7low100210
methyl linoleatefatty acid methyl esterplant metabolite1963202031.3low163810
phenylephrine hydrochloridehydrochloride2013201311.0low000010
naloxonemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
1987198737.0low010000
vitamin k 1phylloquinones;
vitamin K
cofactor;
human metabolite;
plant metabolite
1985198539.0low010000
sirolimusantibiotic 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
2009200915.0low000100
gamma-cyclodextrincyclodextrin2002200222.0low000100
ceriumCE(18:2);
cholesteryl octadeca-9,12-dienoate
human metabolite;
mouse metabolite
2001200123.0low000100
fenretinidemonocarboxylic acid amide;
retinoid
antineoplastic agent;
antioxidant
2000200024.0low001000
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
2004200420.0low000100
morphinemorphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
1999200422.5low001100
deamino arginine vasopressinheterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
1992199232.0low001000
15-deoxy-delta(12,14)-prostaglandin j2prostaglandins Jelectrophilic reagent;
insulin-sensitizing drug;
metabolite
2002200222.0low000200
enprostil1986198638.0low010000
lysophosphatidic acid1-acyl-sn-glycerol 3-phosphate2004201315.5low000110
lysophosphatidylcholines1-O-acyl-sn-glycero-3-phosphocholine1963202227.5low046441
cytochalasin bcytochalasin;
lactam;
lactone;
organic heterotricyclic compound
actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
1988198836.0low010000
sq 295481995199529.0low001000
su 66562013201311.0low000010
delta(3)-hexadecenoic acidhexadecenoic acidplant metabolite1964196460.0medium010000
octadecadienoic acid1964201525.2high154650
5,9,12-octadecatrienoic acidoctadecatrienoic acid1984198639.0low030000
stearidonic acidlong-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid
Daphnia galeata metabolite;
mouse metabolite;
plant metabolite
201920214.0low000011
11,14,17-eicosatrienoatefatty acid 20:3;
omega-3 fatty acid
1982199038.0medium011000
mead acid5,8,11-eicosatrienoic acid1985201921.4medium132040
juniperonic acidicosatetraenoic acidplant metabolite2007201513.0high000110
ximenynic acidlong-chain fatty acid1987202020.5high010010
12-hydroxy-5,8,10-heptadecatrienoic acidhydroxy polyunsaturated fatty acid;
long-chain fatty acid;
trienoic fatty acid
metabolite1992201822.3low002010
lesquerolic acid1998200323.5high001100
1,2-oleoylphosphatidylcholinephosphatidylcholine(1+)2013201311.0low000010
biliverdine1987199036.0low021000
bisdemethoxycurcuminbeta-diketone;
diarylheptanoid;
enone;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
2007200717.0low000100
centaureidintrihydroxyflavone;
trimethoxyflavone
antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
plant metabolite
2004200420.0low000100
beta-farnesenebeta-farnesene2009200915.0low000100
andrographolidecarbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol
anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
202320231.0low000001
icaritin202320231.0low000001
icariinflavonols;
glycosyloxyflavone
antioxidant;
bone density conservation agent;
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
phytoestrogen
2006200618.0low000100
ligustilidebutenolidemetabolite2005200519.0low000100
methyl linolenatefatty acid methyl esterinsect attractant;
plant metabolite
2008200816.0low000100
osthenolhydroxycoumarinantifungal agent;
plant metabolite
1998199826.0low001000
trilinolein1,2-diacyl-3-linoleoylglycerol;
1,3-diacyl-2-linoleoylglycerol;
linoleoyl containing 1,2,3-triacyl-sn-glycerol;
TG(18:2/18:2/18:2);
triglyceride
mouse metabolite1958201926.0medium022420
caryophyllene2006201115.5low000110
ergosterol-5,8-peroxide3beta-sterol;
ergostanoid;
organic peroxide;
phytosterols
antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug
1998199826.0low001000
leadcarbon group element atom;
elemental lead;
metal atom
neurotoxin1995201220.5low001010
butylidenephthalideisobenzofuranone2005201613.5low000110
12-hydroxy-5,8,10,14-eicosatetraenoic acid1987201329.4low0513110
13-hydroperoxy-9,11-octadecadienoic acidhydroperoxy polyunsaturated fatty acid;
octadecadienoic acid
1984201625.8high0520920
15-hydroxy-5,8,11,13-eicosatetraenoic acid1982200730.4low1711300
diamide1,1'-azobis(N,N-dimethylformamide)2001200123.0low000100
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid1995201320.0low001010
antimonymetalloid atom;
pnictogen
201520159.0low000010
cesiumalkali metal atom1997199727.0low001000
triphenyltin2011201710.0low000020
rubidiumalkali metal atom1992199729.5low102000
aluminumboron group element atom;
elemental aluminium;
metal atom
1987198737.0low010000
strontiumalkaline earth metal atom1994201122.7low002010
triethyltin1989198935.0low010000
arsenicmetalloid atom;
pnictogen
micronutrient201620168.0low000010
sulfurchalcogen;
nonmetal atom
macronutrient1996202016.0low001220
ethyl oleatelong-chain fatty acid ethyl esteracaricide;
plant metabolite
2004200917.5low000200
methyl oleatefatty acid methyl ester1945201741.7low020010
linoleyl alcoholfatty alcohol 18:2;
long-chain primary fatty alcohol
1998200920.5high001100
methopreneisopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate;
isopropyl ester
juvenile hormone mimic201620168.0low000010
ethyl arachidonatelong-chain fatty acid ethyl esterhuman blood serum metabolite;
human xenobiotic metabolite
2002200222.0low000100
germacrene d2011201113.0low000010
diphenylhexatrienealkatrienefluorochrome1989200031.3low025000
eleostearic acidoctadecatrienoic acid2006201812.6low000320
ajoenesulfoxide2005201812.5low000110
dimyristoylphosphatidylcholine1,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester
antigen;
mouse metabolite
1995201618.5low001010
ecdysterone14alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid
animal metabolite;
plant metabolite
1988198836.0low010000
deoxyribosedeoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1991200523.8low002600
fumaratesbutenedioate;
C4-dicarboxylate
human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
1963201528.0low111110
cysteinecysteiniumfundamental metabolite2007202210.3low000241
thyroninesthyronine1984198440.0low010000
siliconcarbon group element atom;
metalloid atom;
nonmetal atom
2009200915.0low000100
crepenynic acidlong-chain fatty acid anion;
straight-chain fatty acid anion;
unsaturated fatty acid anion
1985202020.2high022230
phosphorusmonoatomic phosphorus;
nonmetal atom;
pnictogen
macronutrient1965201831.0low035110
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid2004202311.7low000491
lavandulollavandulol2012201212.0low000010
demethoxycurcuminbeta-diketone;
diarylheptanoid;
enone;
polyphenol
anti-inflammatory agent;
antineoplastic agent;
metabolite
2007200717.0low000100
panaxynollong-chain fatty alcohol1981201824.5low010010
bergamottinfuranocoumarinmetabolite2012201212.0low000010
sulindac sulfonemonocarboxylic acid;
organofluorine compound;
sulfone
apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
2000200024.0low001000
cgp 52608thiazolidinone2004200420.0low000100
oleoyl-coenzyme aoctadecenoyl-CoAEscherichia coli metabolite;
mouse metabolite
1984200231.0low013100
trioleintriglycerideCaenorhabditis elegans metabolite;
plant metabolite
1964202126.1low033341
docosapentaenoic aciddocosapentaenoic acid;
omega-3 fatty acid
algal metabolite;
human metabolite
1977202318.6low32810111
resiniferatoxincarboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone
analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
2007200717.0low000100
abscisic acid2-trans-abscisic acid201020227.8low000121
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-onenaphthalenes2001200123.0low000100
su 1498enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide
vascular endothelial growth factor receptor antagonist2014201410.0low000010
seleniumchalcogen;
nonmetal atom
micronutrient1981201924.1low1410560
telluriumchalcogen;
metalloid atom
2007201314.0low000110
oxalates2000200024.0low001000
clinoptilolite2010201014.0low000100
ethyl linolenate1987201523.0medium010010
4,7,10,13,16,19-docosahexaenoic acid ethyl ester1998199826.0low001000
dizocilpine maleatemaleate salt;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
2000200024.0low001000
antimycin aamidobenzoic acid2001200123.0low000100
cholestanolcholestanoid2002200222.0low000100
bongkrekic acidether;
olefinic compound;
tricarboxylic acid
apoptosis inhibitor;
ATP/ADP translocase inhibitor;
bacterial metabolite;
EC 2.5.1.18 (glutathione transferase) inhibitor;
toxin
2005200519.0low000100
1-palmitoyl-2-oleoylphosphatidylcholine1995201618.5low001010
falcarindiolorganic molecular entitymetabolite1998201817.0low001110
dehydroergosterol3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols
biomarker;
metabolite
2001200123.0low000100
1-oleoyl-2-acetylglycerol1,2-diglyceride1988199035.0low011000
involucrin2011201113.0low000010
15-hydroperoxy-5,8,11,13-eicosatetraenoic acidHPETEhuman xenobiotic metabolite1987200929.0low043200
linoleylanilideanilide;
fatty amide
1993199729.0medium003000
1,2-dioleoyloxy-3-(trimethylammonium)propane1996199628.0low001000
diarachidonyl diglyceride1992199232.0low001000
concanamycin acarbamate ester;
concanamycin
antifungal agent;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
metabolite
1998199826.0low001000
bwa 4c1988199631.3low012000
ono 40571997199727.0low001000
1-palmitoyl-2-linoleoylphosphatidylcholine1995201423.5low003010
7-oxoprostaglandin i21987198737.0low010000
thermozymocidinalpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid
antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent
2004201017.0low000200
11-hydroxy-9,12-octadecadienoic acidHODE;
secondary allylic alcohol
1993200027.0high004000
3-hydroxy-5,8,11,14-eicosatetraenoic acid1998199826.0low001000
8-hydroperoxylinoleic acidHPODE;
octadecanoid
1996200921.5high001100
8-hydroxylinoleic acid2000201715.5high001010
methyl 6,7-10,11-bis(epoxy)-3,7,11-trimethyl-2-dodecenoate2003200321.0low000100
17-hydroxy-4,7,10,13,15,19-docosahexaenoic acidhydroxydocosahexaenoic acid;
secondary allylic alcohol
human xenobiotic metabolite202020204.0low000010
19-hydroxy-5,8,11,14-eicosatetraenoic acid2000201715.5low001010
tetracosahexaenoic acid2003200321.0low000100
14-hydroxydocosahexaenoate201620168.0low000010
eicosa-5,11,14-trienoic acid2007201512.8medium000130
13-hydroperoxy-9,11,15-octadecatrienoic acid1995200026.5medium002000
valerenic acidcarbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid
GABA modulator;
plant metabolite;
sedative;
volatile oil component
2007200717.0low000100
1,2-linoleoylphosphatidylcholine1994200126.5low001100
linoleoyl-coenzyme a1984201131.8medium030010
colneleic aciddivinyl ether fatty acid;
long-chain fatty acid;
straight-chain fatty acid
2013201311.0low000010
4-oxo-2-nonenalenal;
enone
human metabolite2003201916.0low000510
vernoleateoxylipin;
vernolic acid
1993201223.9high004210
18-hydroxy-5,8,11,14-eicosatetraenoic acid2000200024.0low001000
linoleic acid hydroxamatehydroxamic acid1994199430.0medium001000
16-(2'-o-glucopyranosylglucopyranosyloxy)hexadecanoic acid 1',4''-lactone 6',6''-diacetate2014201410.0low000010
beta-escin1960201937.3low040120
androst-16-en-3-one3-oxo steroid;
androstanoid
mammalian metabolite;
pheromone
201520159.0low000010
beta-tocopheroltocopherol;
vitamin E
food component;
plant metabolite
2009201612.7low000210
gadolinium dtpagadolinium coordination entityMRI contrast agent2005200519.0low000100
sq-23377cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid
calcium ionophore;
metabolite
1989199034.5low011000
enkephalin, leucine-2-alanine1987198737.0low010000
oleoyl-estrone2007200717.0low000100
pinostrobinether;
flavonoids
202320231.0low000001
3-tyrosinehydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols
plant metabolite2000200024.0low101000
staurosporineammonium ion derivative1988199632.0low011000
cyclo(leucyl-prolyl)dipeptide;
homodetic cyclic peptide;
pyrrolopyrazine
bacterial metabolite;
marine metabolite
201620168.0low000010
hypericumpenicillanic acids2004200420.0low000100
10-hydroxystearic acidhydroxy fatty acid;
long-chain fatty acid
bacterial xenobiotic metabolite1993200625.7low002100
formazans1997199727.0low001000
triacsin chydrazone;
nitroso compound;
olefinic compound
antimalarial;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
vasodilator agent
2005201315.3low000210
2-hydroxy-9-cis-octadecenoic acid2-hydroxy fatty acid;
hydroxy monounsaturated fatty acid;
long-chain fatty acid
antihypertensive agent;
antineoplastic agent;
apoptosis inducer
2008200816.0low000100
bo 6532003200321.0low000100
euk-1342003200321.0low000100
sincalideoligopeptide2004200420.0low000200
sincalideoligopeptide2004200420.0low000100
capsiatecarboxylic ester;
monomethoxybenzene;
phenols
angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
2002200520.5low000200
fructosyl-lysinefructosamine;
glyco-amino acid
Escherichia coli metabolite2013201311.0low000010
etomoxiraromatic ether2005201912.0low000110
sk&f 459051996199628.0medium001000
gambogic acidpyranoxanthonesmetabolite201720177.0low000010
pentagastrinorganic molecular entity1988198836.0low010000
valencenecarbobicyclic compound;
polycyclic olefin;
sesquiterpene
2014201410.0low000010
tocol201920195.0low000010
mocetinostataminopyrimidine;
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
1948201723.9low026640
fr2369242005200519.0medium000100
secoisolariciresinol diglucoside1999199925.0low001000
tocotrienolsditerpenoid2001202012.0low000250
zeolites2002201913.7low000210
aluminum oxide1987198737.0low010000
n-acetylcysteinamide2008200816.0low000100
decanoylcarnitinedecanoate ester;
O-acylcarnitine
human urinary metabolite1981198143.0low010000
alpha-synuclein202020204.0low000010
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acidhydroxy polyunsaturated fatty acid;
long-chain fatty acid;
nonclassic icosanoid;
resolvin;
triol
anti-inflammatory agent;
human xenobiotic metabolite
201720177.0low000010
digalactosyldiacylglycerol202220222.0low000001
riboseD-ribose;
ribopyranose
2013201311.0low000010
acebutololalpha-D-glucosyl-(1->4)-D-mannopyranose1986199732.5low011000
palytoxinpolyoltoxin1988198836.0low010000
cardanolphenols201220217.5low000011
nystatin a1nystatins1963199852.2low031000
linoleic acid hydroperoxide1983202228.3low049101
potassium cyanatecyanate salt;
one-carbon compound
herbicide2001200123.0low000100
mitoquinone2005200519.0low000100
sitagliptin phosphate2011201113.0low000010
gw9508aromatic amine2007201512.8low000230
imidazoloneorganonitrogen heterocyclic compound2003200321.0low000100
palmitoylcarnitineO-palmitoylcarnitine;
saturated fatty acyl-L-carnitine
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite
1986199732.5low011000
calcimycinbenzoxazole1982200531.2low1618300
dextrothyroxine2002200222.0low000100
sepharose201920195.0low000010
scopolamine hydrobromide1993199629.5low002000
phytosterols2000202110.0low1014182
enerbol1958195866.0low010000
nomilin2006200618.0low000100
silidianin2009200915.0low000100
conophthorinketal2012201212.0medium000010
acid phosphatase1964200845.3low020100
erythrosine2002200222.0low000100
ants2014201410.0low000010
cysteinyldopacatecholamine;
zwitterion
1997199727.0low001000
lyoniside2009201810.5low000110
cyanidin-3-o-beta-glucopyranoside2002200222.0low000100
10-hydroxy-12-octadecenoic acid1996201914.1high002150
nadorganophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
1964201830.9low177420
desmosinearomatic amino acid1993199331.0low001000
protectin d1dihydroxydocosahexaenoic acid;
protectin;
secondary allylic alcohol
anti-inflammatory agent;
apoptosis inhibitor;
hepatoprotective agent;
human xenobiotic metabolite;
neuroprotective agent;
PPARgamma agonist;
specialised pro-resolving mediator
201720177.0low000010
cytochrome c-t2005201614.5low000620
melitten1996199727.5low002000
cholecystokinin1999201316.8low102250
ceruletideoligopeptidediagnostic agent;
gastrointestinal drug
1987198737.0low010000
atrial natriuretic factorpolypeptide1996200921.5low001100
gastrins1986198837.0low020000
glucagonpeptide hormone1981201129.5low243310
neuropeptide y2007200717.0low000100
angiotensinogen2003200321.0low000100
tannins1994201913.9low001360
oligonucleotides2001200421.5low000200
glucagon-like peptide 12000201811.9low1013100
c-peptide2001201218.0low000310
exendin (9-39)2009200915.0low000100
celluloseglycoside1963201624.6low020240
endothelin-12000201417.4low101310
phosphatidylcholines1,2-diacyl-sn-glycero-3-phosphocholine1959202230.6low10708322214
vx-770aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone
CFTR potentiator;
orphan drug
201720177.0low000010
chlorophyll achlorophyll;
methyl ester
cofactor1955202224.4low040142
hoe 333422000200024.0low001000
sphingosine kinase2010201014.0low000100
ubiquinone1964201422.7low012330
ethyl glucuronidebeta-D-glucosiduronic acidhuman urinary metabolite201620168.0low000010
periplocymarin202220222.0low000001
calpain2004200420.0low000100
cholesteryl ester hydroperoxide1999199925.0low001000
lucifer yelloworganic lithium saltfluorochrome2010201014.0low000100
tetracosapentaenoic acid2003200321.0medium000200
9-hydroxy-12-oxo-10(e)-dodecenoic acid2009200915.0medium000100
hydroxyoctadecadienoic acid2008202110.7medium000351
hexadecatetraenoic acid2004200420.0low000100
chitosan2003202310.5low0008143
9-(tetrahydro-2-furyl)-adenine2013201311.0low000010
bucladesine3',5'-cyclic purine nucleotide1986199434.0low011000
osteumorganic molecular entity202020204.0low000010
sodium hypochloriteinorganic sodium saltbleaching agent;
disinfectant
202120213.0low000001
sodium lactatelactate salt;
organic sodium salt
food acidity regulator;
food preservative
2010201014.0low000100
sodium nitriteinorganic sodium salt;
nitrite salt
antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
1997202015.5low001010
lactisole201820186.0low000010
stearates1956202128.3low043431
sodium hypophosphite1982198242.0low010000
sodium glutamatemonosodium glutamateflavouring agent2007200816.5low000200
sodium ethylxanthate1964196460.0low010000
mersalyl2008200816.0low000100
methyl jasmonate2007202210.2low000221
s-adenosylmethionineorganic cation;
sulfonium compound
coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
1992201323.8low203110
picrotoxin2000200024.0low001000
10-nitro-oleic acidlong-chain fatty acid;
monounsaturated fatty acid;
nitro fatty acid
human metabolite202320231.0low000001
egg white1999202114.0low001001
4,4-difluoro-4-bora-3a,4a-diaza-s-indaceneBODIPY compound2000200024.0low001000
cardiovascular agents2005200519.0low000100
dahlia201720177.0low000010
etheroleic aciddivinyl ether fatty acid;
long-chain fatty acid
1995201519.0high001010
11,12-epoxy-5,8,14-eicosatrienoic acid11,12-EEThuman xenobiotic metabolite2003200321.0low000100
lysophosphatidylserine1-acyl-sn-glycero-3-phosphoserine1993199331.0low001000
triiodothyronine, reverse3,3',5'-triiodothyronine;
amino acid zwitterion
1982198242.0low010000
5,15-dihydroperoxyeicosatetraenoic acid2005200519.0medium000100
glycolipids1963202126.1low0610452
piperidines1984202214.6low010121
resolvin d1hydroxy polyunsaturated fatty acid;
resolvin;
triol
anti-inflammatory agent201620168.0low000010
interleukin-81997201914.9low001880
isosilybin2009200915.0low000100
colistin202120213.0low000001
exenatide201720177.0low000010
kavain2-pyranones;
aromatic ether
2014201410.0low000010
heme1953202226.1low031611
leukotoxin1995202021.8low004110
heparitin sulfate1996199628.0low001000
9,12-dioxo-10-dodecenoic acid2009200915.0medium000100
ascorbic acidascorbic acid;
vitamin C
coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
1964202322.0low2112228162
tetracycline1983198341.0low010000
salicylatesmonohydroxybenzoateplant metabolite2003200321.0low000100
piroxicambenzothiazine;
monocarboxylic acid amide;
pyridines
analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
1991200825.7low002100
mobiflexheteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2008200816.0low000100
warfarinbenzenes;
hydroxycoumarin;
methyl ketone
1998201216.0low001030
6-o-palmitoylascorbic acidfatty acid ester1986201323.7low010110
arzanol2007200717.0low000100
potassium ascorbyl tocopheryl phosphate1999199925.0low001000
epidermal growth factor1987201729.1low0319210
microcystinpeptide1999199925.0low001000
transforming growth factor beta1992202314.8low002021
okadaic acidketal2007200717.0low000100
pyrethrins2013201311.0low000010
(Z)-6,6',7,3'a-Diligustilidebutenolidemetabolite2009200915.0low000100
sc 261962001201418.0high000210
agar1986200031.0low011000
cyclin d12001200123.0low000100
lysophosphatidylinositol1985201623.5low010010
lysophosphatidylethanolamine1986198638.0low020000
caseins1955201431.9low086810
oligomycins2001200123.0low000200
bassianolidecyclodepsipeptide;
cyclooctadepsipeptide
antineoplastic agent;
fungal metabolite;
insecticide
201420197.5low000020
methysticin2-pyranones;
aromatic ether
2014201410.0low000010
glucagon-like peptide 2202220222.0low000001
cobamamide1993199331.0low001000
13-hydroperoxylinoleic acidhydroperoxy polyunsaturated fatty acid1982199931.8medium013000
lipofectamine2007200717.0low000100
gibberellins201520159.0low000010
daptomycin201420207.0low000020
vitamin b 121982202016.4low010130
sermorelin201920195.0low000010
transforming growth factor alpha1997201418.5low001010
moxidectin2002200222.0low000100
arachidonoylcholineacylcholinecholinergic agonist202020204.0medium000010
cyclosporine2005200917.3low000300
silybin2009200915.0low000100
cytochalasin d2000200024.0low001000
peptide yy2010201411.8low000130
thromboplastin1965198549.0low020000
muramidase1995201616.8low001120
amyloid beta-peptides201920195.0low000010
promega1987198737.0low110000
exudates201320198.8low000040
tetra(4-n-methylpyridyl)porphine2012201212.0low000010
acyclovir2-aminopurines;
oxopurine
antimetabolite;
antiviral drug
1992199232.0low001000
cyclic gmp3',5'-cyclic purine nucleotide;
guanyl ribonucleotide
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
1987200229.2low013200
deoxyguanosinepurine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1996201019.6low002600
7,8-dihydroneopterindihydropterin;
neopterins
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1995199529.0low001000
guanosine diphosphateguanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
2001201415.8low000310
guanosine monophosphateguanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
2001200123.0low000100
guanosine triphosphateguanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate
Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
1984201424.3low015410
guanine2-aminopurines;
oxopurine;
purine nucleobase
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1995200822.5low001100
hypoxanthinenucleobase analogue;
oxopurine;
purine nucleobase
fundamental metabolite1996199628.0low001000
inosinic acidinosine phosphate;
purine ribonucleoside 5'-monophosphate
Escherichia coli metabolite;
human metabolite;
mouse metabolite
202220222.0low100001
inosine triphosphateinosine phosphate;
purine ribonucleoside 5'-triphosphate
Escherichia coli metabolite;
human metabolite;
mouse metabolite
2006200618.0low000100
folic acidfolic acids;
N-acyl-amino acid
human metabolite;
mouse metabolite;
nutrient
1964202018.0low210340
pheophytin a201520159.0low000010
neopterin1995199529.0low001000
clozapinebenzodiazepine;
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
2007200717.0low000100
allopurinolnucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
1982201826.4low034320
guanylyl imidodiphosphatenucleoside triphosphate analogue1994199430.0low001000
bw 540c1988198836.0medium010000
tirapazaminearomatic amine;
benzotriazines;
N-oxide
antibacterial agent;
antineoplastic agent;
apoptosis inducer
201920195.0low000010
8-bromocyclic gmp3',5'-cyclic purine nucleotide;
organobromine compound
muscle relaxant;
protein kinase G agonist
1994199430.0low001000
methylnitronitrosoguanidinenitroso compoundalkylating agent2009200915.0low000100
8-hydroxy-2'-deoxyguanosineguanosinesbiomarker1996200921.5low001100
coelenterazine2003200420.5low000200
alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone1986199632.8low013000
magnesium gtp1984198440.0low010000
cholestyramine resin2001200123.0low000100
eye2003200321.0low100200
potassium magnesium aspartate1985198539.0low010000
maltodextrin2002200720.5low100400
acetylcellulose201520159.0low000010
concanavalin a1987200527.3low016300
leptin1999202116.5low20328141
phenanthrenes1998200223.3low001200
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
2019 Novel Coronavirus Disease0202020232.3low000016
Abdominal Migraine01983201815.0low110030
Abdominal Obesity0201720177.0low000010
Abetalipoproteinemia01963198854.2low040000
Abnormalities, Autosome01988200330.3low011100
Abnormalities, Congenital01964196460.0low010000
Abnormalities, Drug-Induced01995199529.0low001000
Abnormality, Heart01995199927.0low002000
Abortion, Spontaneous0201820186.0low000010
Abortion, Tubal0201820186.0low000010
Absence Seizure01998200920.5low001100
Absence Seizure Disorder02014201410.0low000010
Academic Disorder, Developmental01984200629.0low010100
Acantholytic Dyskeratotic Epidermal Nevi01990199034.0low001000
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Acid beta-Glucosidase Deficiency02013201311.0low000010
Acidosis01964200340.5low010100
Acidosis, Diabetic02005200519.0low000100
Acne01985202318.3low443254
Acne Rosacea0201720177.0low000010
Acne Vulgaris01985202318.3low443254
Acquired Facial Neuropathy02006200618.0low000100
Acquired Immune Deficiency Syndrome02000200024.0low001000
Acquired Immunodeficiency Syndrome02000200024.0low001000
Acrodermatitis01985198638.5low020000
Actinic Reticuloid Syndrome02006202011.0low000110
Action Tremor02014201410.0low000010
Active Hyperemia0201520159.0low100010
Acute Brain Injuries02003202312.7low000201
Acute Confusional Senile Dementia01987202312.6low010371
Acute Coronary Syndrome02008201910.5low000110
Acute Disease01981202224.8low534321
Acute Edematous Pancreatitis01986201926.1low225020
Acute Hypercapnic Respiratory Failure01995199529.0low001000
Acute Ischemic Stroke0202220222.0low000001
Acute Liver Injury, Drug-Induced01963202131.1low032031
Acute Lung Injury02009200915.0low000100
Acute Lymphoid Leukemia0202120213.0low000001
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Acute Promyelocytic Leukemia01993199331.0low002000
Acute Respiratory Distress Syndrome01994200028.0low003000
Acute-Phase Reaction02003200321.0low000100
ADDH02004201513.8low200220
Addison Disease and Cerebral Sclerosis01994201721.7low002010
Addison's Anemia01964196460.0low010000
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Adenocarcinoma Of Kidney0202320231.0low000002
Adenocarcinoma of Lung0201920195.0low000010
Adenocarcinoma, Basal Cell01981201524.6low0291020
Adenocarcinoma, Follicular0202020204.0low000010
Adenofibroma01989198935.0low010000
Adenoma01990202217.0low101411
Adenoma, Basal Cell01990202217.0low101411
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Adenomatous Polyposis Coli, Familial01997200722.0low101100
Adipocere01993200823.5low001100
Adjuvant Arthritis01986202321.0low013011
Adrenal Cortex Cancer01985201922.0low010010
Adrenal Cortex Neoplasms01985201922.0low010010
Adrenocortical Carcinoma0201920195.0low000010
Adrenoleukodystrophy01994201721.7low002010
Adult Refsum Disease02011201113.0low000010
Advanced Sleep Phase Syndrome02009200915.0low000100
Adverse Drug Event0200620239.5low000101
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African Sleeping Sickness0202020204.0low000010
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Airway Hyper-Responsiveness01997199727.0low001000
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Alcoholic Fatty Liver01987198737.0low020000
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Allergic Encephalomyelitis01997199727.0low001000
Allergic Reaction01954201731.2low042220
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Allodynia0201220209.3low000090
Alloxan Diabetes01964201927.9low0912550
Alopecia0201420178.5low000020
Alopecia Cicatrisata0201420178.5low000020
alpha-L-Iduronidase Deficiency0201720177.0low000010
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Alzheimer Disease01987202312.6low010371
Amentia01987198737.0low010000
Ametropia02003200321.0low100100
Amino Acid Metabolism Disorders, Inborn01997199727.0low001000
Amnesia01996199628.0low001000
Amnesia-Memory Loss01996199628.0low001000
Anaphylactic Reaction01994201223.5low002110
Anaphylaxis01994201223.5low002110
Anaplastic Astrocytoma01990199730.5low002000
Anaplastic Ependymoma01965196559.0low010000
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Anemia, Hemolytic02011201113.0low000010
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Anemia, Sickle Cell02011201113.0low000010
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Anesthesia02008201811.0low000110
Anesthesia Related Hyperthermia01992199232.0low001000
Aneurysm01986198638.0low010000
Angelman Syndrome0202320231.0low000001
Angina Pectoris01965198748.0low020000
Angioblastic Meningioma01993199331.0low001000
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Angiospasm, Intracranial02002200222.0low000100
Angor Pectoris01965198748.0low020000
Animal Diseases02002200222.0low000100
Animal Mammary Carcinoma01965200330.8low014100
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Anorexia Nervosa0202320231.0low000001
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Anoxia-Ischemia, Brain0202120213.0low000001
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Anterior Choroidal Artery Infarction01987198737.0low010000
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Anxiety Disorders0201720177.0low000010
Anxiety Neuroses0201720177.0low000010
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Aortic Dissection0202020204.0low000010
Aortic Stenosis01963196361.0low010000
Aortic Valve Stenosis01963196361.0low010000
Apnea, Obstructive Sleep0202320231.0low000001
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Apolipoprotein C-II Deficiency01964196460.0low010000
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Arterial Occlusive Diseases01997199727.0low001000
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Asthma, Bronchial01989202316.5low114343
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Astrocytoma, Grade IV01997202014.8low001120
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Autistic Disorder02001202312.0low000211
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Autoimmune Disease01964202025.3low023130
Autoimmune Diseases01964202025.3low023130
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B16 Melanoma01990201227.2low003110
Bacterial Disease01989199134.0low011000
Bacterial Infections01989199134.0low011000
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Barrett Esophagus01995199529.0low001000
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Benign Psychomotor Epilepsy, Childhood01981198143.0low010000
beta-Thalassemia0201820186.0low000010
BH4 Deficiency01995199827.5low002000
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Bile Duct Obstruction01988200030.0low011000
Bile Duct Obstruction, Extrahepatic01990199034.0low001000
Bilharziasis01964196460.0low010000
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Biliary Calculi01964196460.0low010000
Biliary Cirrhosis01959195965.0low010000
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Black Fever0202020204.0low000020
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Bladder Pain Syndrome0202320231.0low000001
Bladder, Overactive0202320231.0low000001
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Blood Clot01964202228.8low038111
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Blood Pressure, High01963202329.0low420161152
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Brain Diseases01960196461.3low030000
Brain Disorders01960196461.3low030000
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Brain Hemorrhage, Cerebral01993199331.0low001000
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Brain Injuries, Traumatic0201820186.0low000010
Brain Ischemia01987202012.0low010160
Brain Neoplasms01965201822.5low113330
Brain Swelling02005200519.0low000100
Brain Vascular Disorders01987198836.5low020000
Breast Cancer01987202219.2low333033226
Breast Neoplasms11987202219.2low333033226
Bright Disease01985198638.5low020000
Broad Beta Disease01964196460.0low010000
Bronchial Diseases01987198737.0low010000
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Bronchitis01963196361.0low010000
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Brucellosis0202020204.0low000010
Burns01986202216.8low110221
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Cacosmia02001200720.0low000200
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Cancer of Esophagus01995201120.6low002210
Cancer of Eye01984198440.0low010000
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Cancer of Oropharnyx0201520159.0low000010
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Cancer of Prostate01989202020.4low11111870
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Cancer of Sigmoid01998199826.0low001000
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Cancer of the Thyroid0202020204.0low000010
Cancer of the Uterus01985200031.5low011000
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Candidiasis0200620239.5low000101
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Candidiasis, Vulvovaginal0202320231.0low000001
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Canine Diseases01992202320.5low004011
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Carbon Tetrachloride Poisoning01964201238.4low040010
Carcinogenesis0201420226.3low000061
Carcinoma01990201024.7low003400
Carcinoma 256, Walker01997199926.0low002000
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Carcinoma, Basal Cell, Pigmented01997199727.0low001000
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Carcinoma, Non-Small Cell Lung02009200915.0low000100
Carcinoma, Non-Small-Cell Lung02009200915.0low000100
Carcinoma, Pancreatic Ductal02006200618.0low000100
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Carcinoma, Squamous Cell01995201520.3low004320
Carcinoma, Thymic02005200519.0low000100
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Cardiac Diseases01965200138.3low011100
Cardiac Failure01964202215.8low111262
Cardiac Neurosis01963196361.0low010000
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Cardiometabolic Syndrome02002202210.9low3008112
Cardiomyopathies01985201023.5low011200
Cardiomyopathies, Primary01985201023.5low011200
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Cardiomyopathy, Dilated0202220222.0low000001
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Cardiovascular Stroke01963202225.7low3103853
Caries, Dental01982201426.0low010010
Carotid Artery Diseases02001202116.2low000311
Cartilage Diseases0201520159.0low000010
Cat Diseases02006200618.0low000100
Cataract02011201113.0low000010
Cataract, Membranous02011201113.0low000010
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Celiac Sprue01963200053.0low141000
Cell Transformation, Neoplastic01982201523.2low026710
Cell Transformation, Viral01985199036.5low011000
Central Hypothyroidism01964198852.0low030000
Central Nervous System Disease01963196361.0low010000
Central Nervous System Diseases01963196361.0low010000
Central Nervous System Syphilis0202320231.0low000001
Centriacinar Emphysema0201720177.0low100010
Cerebellar Diseases01993199331.0low001000
Cerebral Hemorrhage01993199331.0low001000
Cerebral Infarction01987198737.0low010000
Cerebral Ischemia01987202012.0low010160
Cerebral Malaria01999199925.0low001000
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Chemical and Drug Induced Liver Injury, Chronic0202320231.0low000001
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Child Malnutrition02013201311.0low000010
Chloasma02002201217.0low100110
Cholangiocarcinoma0202220222.0low000001
Cholangiocellular Carcinoma0202220222.0low000001
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Cholelithiasis01963198752.7low030000
Cholera Infantum01996199628.0low001000
Cholestasis01988200030.0low011000
Choline Deficiency01965196559.0low010000
Chondromalacia0201520159.0low000010
Chorea01991199133.0low001000
Chorea Disorders01991199133.0low001000
Choriocarcinoma01997200025.5low002000
Choroid Neovascularization02007201413.5low000110
Chromosome-Defective Micronuclei02009200915.0low000100
Chronic Disease01987202324.1low126211
Chronic Hepatitis C02000200024.0low101000
Chronic Illness01987202324.1low126211
Chronic Kidney Diseases0201420188.7low000030
Chronic Kidney Failure01983200529.4low033200
Chronic Pain0201620225.0low100011
Cicatrix, Hypertrophic02008200816.0low100100
Circoviridae Infections02003200321.0low000100
Cirrhoses, Experimental Liver01963196361.0low010000
Cirrhosis02003202311.0low000101
Cirrhosis, Liver01959202336.0low153101
CJD (Creutzfeldt-Jakob Disease)0202320231.0low000001
Cleft Lip0201820186.0low000010
Clinically Isolated CNS Demyelinating Syndrome02005202310.0low000101
Coagulation Disorders, Blood0202020204.0low000010
Coagulation, Disseminated Intravascular01988202020.0low010010
Cocaine Abuse02003200321.0low000100
Cocaine-Related Disorders02003200321.0low000100
Cocarcinogenesis01985198539.0low010000
Cognitive Decline0201820205.0low000020
Cognitive Dysfunction0201820205.0low000020
Colitis0199620239.8low001173
Colitis Gravis01985202215.2low010211
Colitis, Granulomatous01985202325.2low233501
Colitis, Ulcerative01985202215.2low010211
Collodion Baby Syndrome0202220231.5low000002
Colonic Diseases0202120213.0low000001
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Colorectal Cancer01990202213.5low40412105
Colorectal Neoplasms01990202213.5low40412105
Communicable Diseases01986198638.0low010000
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Compensatory Hyperinsulinemia02002201717.0low000210
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Complications of Diabetes Mellitus01984200333.0low021100
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Complications, Pregnancy01981202026.4low023020
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Congenital Fissure of the Abdominal Cavity02012201212.0low000010
Congenital Icthyosis Mental Retardation Spasticity Syndrome0201720177.0low000010
Congenital Zika Syndrome0202020204.0low000010
Constipation02007200717.0low100100
Contact Dermatitis01989199532.0low011000
Convulsions, Grand Mal02014201410.0low000010
Coronary Artery Disease02001202013.1low100440
Coronary Disease01965202222.9low3112316211
Coronary Heart Disease01965202222.9low3112316211
Coronary Restenosis02004200420.0low000100
Coronary Thrombosis01997201916.0low101010
Coronavirus Infections0202020232.5low000011
Cot Death01994199529.5low002000
Creutzfeldt-Jakob Syndrome0202320231.0low000001
Critical Illness01997201819.3low002010
Crohn Disease01985202325.2low233501
Cross Infection01992199232.0low001000
Cyclitis, Heterochromic0202320231.0low000001
Cystadenocarcinoma, Serous0202220222.0low000001
Cystic Fibrosis01981202221.0low7881363
Cystic Fibrosis of Pancreas01981202221.0low7881363
Cystic Kidney Diseases0201520159.0low000010
Cystitis, Interstitial0202320231.0low000001
Cytomegalovirus02001200123.0low000100
Death, Sudden01987198737.0low010000
Death, Sudden, Cardiac01995200723.0low001100
Deficiency Disease, Ornithine Carbamoyltransferase01997199727.0low001000
Deficiency Diseases01963201541.8low1101140
Deficiency, Magnesium01989198935.0low010000
Deficiency, Mental02001202312.0low000101
Deficiency, Protein01964199153.2low031000
Deficiency, Pyridoxine01963196361.0low010000
Deficiency, Thiamine01965196559.0low010000
Deficiency, Vitamin A01995200026.5low002000
Deficiency, Vitamin D01983198341.0low010000
Deficiency, Vitamin E01958201138.5low097110
Degenerative Diseases, Central Nervous System0201120227.0low000021
Dehydration0201820205.0low000020
Delayed Effects, Prenatal Exposure01984202220.6low013302
Delayed Hypersensitivity02001200321.5low100400
Dementia01987198737.0low010000
Dementia Praecox01981201821.2low022040
Demyelinating Diseases02005202310.0low000101
Dental Caries01982201426.0low010010
Dental Plaque01982198242.0low010000
Depression0199220238.9low101192
Depression, Endogenous0201920195.0low000010
Depression, Involutional02012201212.0low000010
Depressive Disorder0201920195.0low000010
Depressive Disorder, Major02012201212.0low000010
Dermatitis01950201830.4low040240
Dermatitis Medicamentosa02002200222.0low000100
Dermatitis Seborrheica01957195767.0low010000
Dermatitis, Allergic Contact01995200225.5low001100
Dermatitis, Atopic01952202123.0low457362
Dermatitis, Contact01989199532.0low011000
Dermatitis, Contact, Phototoxic01995200821.1low003600
Dermatitis, Eczematous01950201941.2low242110
Dermatitis, Irritant01995199529.0low102000
Dermatitis, Poison Ivy01986198638.0low010000
Dermatitis, Radiation-Induced01964200937.5low010100
Dermatitis, Seborrheic01957195767.0low010000
Dermatomycoses02000200024.0low001000
Dermatoses01993202014.8low102130
Devic Disease0202220222.0low000001
Di Guglielmo Disease02000200024.0low001000
Diabetes Mellitus01963202028.4low2961150
Diabetes Mellitus, Adult-Onset01984202317.2low74819193
Diabetes Mellitus, Gestational0201820223.8low100022
Diabetes Mellitus, Type 101983202127.0low277222
Diabetes Mellitus, Type 211984202317.2low74819193
Diabetes, Gestational0201820223.8low100022
Diabetic Angiopathies01964200435.1low032200
Diabetic Glomerulosclerosis01992201818.5low002020
Diabetic Ketoacidosis02005200519.0low000100
Diabetic Nephropathies01992201818.5low002020
Diabetic Neuropathies01991200826.8low003200
Diabetic Retinopathy01983199536.8low131000
Diarrhea01986199334.5low011000
Diathesis02006202011.0low000240
Diffuse Mixed Small and Large Cell Lymphoma02006201314.5low000110
Disbacteriosis0201920195.0low000010
Disease02001200123.0low000100
Disease Exacerbation01995202215.4low103671
Disease Models, Animal01987202315.1low032023494
Disease Resistance0201420235.5low000011
Disease, Pulmonary01963196361.0low020000
Diseases of Immune System01954200150.2low030100
Diseases, Metabolic01993202210.5low001021
Diseases, Peripheral Vascular02007200717.0low000100
Disseminated Intravascular Coagulation01988202020.0low010010
Drug Withdrawal Symptoms01985198738.0low020000
Drug-Related Side Effects and Adverse Reactions0200620239.5low000101
Dry Eye02008200816.0low000100
Dry Eye Syndromes02008200816.0low000100
Dyslipidemia02006202010.3low100240
Dyslipidemias02006202010.3low100240
E coli Infections0201520159.0low000010
Eczema01950201941.2low242110
Eczema, Atopic01952202123.0low457362
Edema01998202311.5low001122
Edema-Proteinuria-Hypertension Gestosis01985201820.2low123540
EHS Tumor01962199844.0low011000
Electrolytes01964200737.0low232100
Electron Transport Chain Deficiencies, Mitochondrial02010201014.0low000100
Elevated Cholesterol01960202328.6low11815962
Embolism, Fat02002200222.0low000100
Encephalitis0201720196.0low000020
Encephalitis, Polio02011201113.0low000010
Encephalopathy, Hepatic02000200024.0low001000
Encephalopathy, Traumatic0201820186.0low000010
Encopresis01986198638.0low010000
Endometrial Neoplasms01994201816.0low001120
Endometrioma02008201811.0low000110
Endometriosis02008201811.0low000110
Endotoxemia01998199925.5low002000
Endotoxin Shock02010201014.0low000100
Enlarged Liver02004200917.5low000200
Enlarged Spleen01992199232.0low001000
Enterically-Transmitted Non-A, Non-B Hepatitis0202220222.0low000001
Enteritis02013201311.0low000010
Enterocolitis, Necrotizing0201620168.0low000010
Enuresis01986198638.0low010000
Eosinophilia02012201212.0low000010
Eosinophilia, Tropical02012201212.0low000010
Ependymoma01965196559.0low010000
Epilepsy, Absence02014201410.0low000010
Epilepsy, Temporal Lobe01981198143.0low010000
Epilepsy, Tonic-Clonic02014201410.0low000010
ER-Negative PR-Negative HER2-Negative Breast Cancer0201820205.0low000020
Escherichia coli Infections0201520159.0low000010
Esophageal Neoplasms01995201120.6low002210
Esophageal Reflux02006200618.0low000100
Esophagitis, Peptic01999199925.0low001000
Esophagitis, Reflux01999199925.0low001000
Exocrine Pancreatic Insufficiency01985201626.4low130020
Experimental Hepatoma01982201528.5low088810
Experimental Leukemia01981199637.8low031000
Experimental Lung Inflammation01985200625.3low010200
Experimental Mammary Neoplasms01965201729.9low01230510
Experimental Neoplasms01981201927.7low044410
Experimental Radiation Injuries01963200941.5low021100
External Ear Inflammation02000200024.0low001000
Extramembranous Glomerulopathy01990199034.0low001000
Extravascular Hemolysis01964202224.6low05121151
Eye Cancer, Retinoblastoma01984198440.0low010000
Eyelid Diseases02007201612.5low100110
Fallot's Tetralogy01987198737.0low010000
Familial Combined Hyperlipidemia02001200123.0low000100
Familial Nonmedullary Thyroid Cancer0202020204.0low000010
Fasting Hypoglycemia02013201311.0low000010
Fat Necrosis0201320198.0low000020
Fatigue02014201410.0low100010
Fatty Liver01963202024.7low1721280
Fatty Liver with Encephalopathy01986198638.0low010000
Fatty Liver, Nonalcoholic0201020235.4low100166
Fetal Growth Restriction02002200520.5low000200
Fetal Growth Retardation02002200520.5low000200
Fibroma, Shope01988198836.0low010000
Fibrosarcoma01984199834.2low031000
Fibrosis02003202311.0low000101
Fish Diseases0202120213.0low000001
Fistula01988198836.0low010000
Focal Neurologic Deficits01964196460.0low010000
Follicular Thyroid Carcinoma0202020204.0low000010
Food Hypersensitivity01999202110.8low101031
Foreign-Body Reaction01990199034.0low001000
Fra(X) Syndrome0202220222.0low000001
Fragile X Syndrome0202220222.0low000001
Friedreich Ataxia01982202324.6low650022
Friedreich Disease01982202324.6low650022
Fusiform Aneurysm01986198638.0low010000
Gall Bladder Diseases01989198935.0low010000
Gallstone Disease01963198752.7low030000
Gallstones01964196460.0low010000
Gastric Ulcer01988202218.8low011111
Gastritis02001200322.0low000200
Gastroduodenal Ulcer01993199430.5low002000
Gastroesophageal Reflux02006200618.0low000100
Gastrointestinal Hemorrhage01986198936.7low030000
Gastroschisis02012201212.0low000010
Gaucher Disease02013201311.0low000010
Genetic Diseases, X-Chromosome Linked01960200342.5low010100
Genetic Predisposition0200120219.5low000461
Genital Diseases, Male01994199430.0low101000
Germinoblastoma01992199232.0low001000
Gestational Hypertension02005200519.0low100100
Glial Cell Tumors01965202024.7low142340
Glioblastoma01997202014.8low001120
Glioma01965202024.7low142340
Glomerulonephritis01985198638.5low020000
Glomerulonephritis, Membranous01990199034.0low001000
Glucose Intolerance02002202312.2low000321
Goldblatt Syndrome01984198937.5low020000
Gram-Positive Bacterial Infections02003200321.0low000100
Granuloma01986198638.0low010000
Granulomas01986198638.0low010000
Great Pox0202320231.0low000001
Group A Strep Infection0201720177.0low000010
Growth Disorders01996201817.8low102120
Haemophilus Infections01994199430.0low001000
Hand Dermatoses0201620168.0low000010
Hand Dermatosis0201620168.0low000010
Hansen Disease01991199133.0low001000
Happy Puppet Syndrome0202320231.0low000001
Harelip0201820186.0low000010
Hay Fever02008200816.0low000100
HbS Disease02011201113.0low000010
Head and Neck Neoplasms0202220222.0low000001
Health Care Associated Infection01992199232.0low001000
Heart Arrest02002200222.0low000100
Heart Defects, Congenital01995199927.0low002000
Heart Disease, Ischemic01993201919.0low003130
Heart Diseases01965200138.3low011100
Heart Failure01964202215.8low111262
Helicobacter Infections02001202213.4low000311
Hematochezia01986198936.7low030000
Hematologic Diseases01955196265.5low020000
Hemolysis01964202224.6low05121151
Hemorrhage01952199559.8low031000
Hemorrhage, Retinal01986198638.0low010000
Hemorrhage, Subarachnoid02002200222.0low000100
Hepatic Encephalopathy02000200024.0low001000
Hepatic Failure02000200024.0low001000
Hepatitis01963200450.0low030100
Hepatitis A01964196460.0low010000
Hepatitis C, Chronic02000200024.0low101000
Hepatitis E0202220222.0low000001
Hepatitis, Animal0202120213.0low000001
Hepatitis, Infectious01964196460.0low010000
Hepatocellular Carcinoma01984202218.2low0261282
Hepatolenticular Degeneration02004200420.0low000100
Heroin Abuse0201620168.0low000010
Heroin Dependence0201620168.0low000010
Hibernation, Myocardial02000200024.0low001000
Hip Fractures02012201212.0low000010
HIV Coinfection01995200625.0low103100
HIV Infections01995200625.0low103100
Hives01995199529.0low001000
Hormone-Dependent Neoplasms01983200826.5low012300
HPV Infection0202020204.0low000010
Huntington Disease01991201819.5low001010
Hyperaldosteronism0202020204.0low000010
Hyperandrogenism0201720177.0low000010
Hypercholesterolemia01960202328.6low11815962
Hyperchylomicronemia Late Onset01990199034.0low001000
Hyperemia0201520159.0low100010
Hyperglycemia01990202216.1low001231
Hyperglycemia, Postprandial01990202216.1low001231
Hyperinsulinism02002201717.0low000210
Hyperkeratosis Palmaris et Plantaris0201620168.0low000010
Hyperlipemia01963202227.9low786862
Hyperlipidemia, Familial Combined02001200123.0low000100
Hyperlipidemias01963202227.9low786862
Hyperlipoproteinemia01985199037.0low041000
Hyperlipoproteinemia Type I01964196460.0low010000
Hyperlipoproteinemia Type II01981200529.3low122200
Hyperlipoproteinemia Type III01964196460.0low010000
Hyperlipoproteinemia Type IV01990199034.0low001000
Hyperlipoproteinemias01985199037.0low041000
Hypermelanosis01998200423.0low101100
Hyperphagia01993199331.0low001000
Hyperpigmentation01998200423.0low101100
Hyperplasia01987201124.3low014310
Hypersensitivity01954201731.2low042220
Hypersensitivity, Type III01985198638.5low020000
Hypertension01963202329.0low420161152
Hypertension, Pregnancy-Induced02005200519.0low100100
Hypertension, Pulmonary01996202314.5low001001
Hypertension, Renal01963200440.5low010100
Hypertension, Renovascular01984198937.5low020000
Hypertriglyceridemia01965201823.4low211520
Hypertrophy01989201024.5low010100
Hypertrophy, Left Ventricular02009200915.0low000100
Hyperuricemia0202220222.0low000001
Hypervitaminosis A01965196559.0low010000
Hypocalcemia01993199331.0low001000
Hypoglycemia02013201311.0low000010
Hypothyroidism01964198852.0low030000
Hypoxia01984202221.4low021011
Hypoxia-Ischemia, Brain0202120213.0low000001
Ichthyosis01986202214.0low010002
Ichthyosis, Lamellar0202220231.5low000002
Icterus Gravis Neonatorum01994199430.0low101000
Idiopathic Parkinson Disease0201120226.3low000021
Immune System Diseases01954200150.2low030100
Impaired Glucose Tolerance02002202312.2low000321
Inadequate Sleep0202020204.0low000010
Inborn Errors of Metabolism01985201027.5low012100
Infant Malnutrition01986201324.5low010010
Infant, Newborn, Diseases01987198737.0low010000
Infant, Premature, Diseases02001201615.5low000110
Infant, Small for Gestational Age01992199232.0low001000
Infantile Respiratory Distress Syndrome02000200123.5low001100
Infection01992202018.0low001010
Infection, Postoperative Wound01983198938.0low020000
Infections01992202018.0low001010
Infections, Coronavirus0202020232.5low000011
Infections, Helicobacter02001202213.4low000311
Infections, Listeria02001200123.0low000100
Infections, Orthomyxoviridae02005200519.0low000100
Infections, Paramyxoviridae01993199331.0low001000
Infections, Parvoviridae0202320231.0low000001
Infections, Plasmodium01988200228.2low013100
Infections, Pneumococcal01994199430.0low001000
Infections, Pseudomonas02004200420.0low000100
Infections, Respiratory01994201022.0low101100
Infections, Spirochaetales02001200222.5low000200
Infections, Staphylococcal01992202310.8low001031
Infections, Staphylococcal Skin02013201311.0low000010
Infectious Diseases01986198638.0low010000
Infertility01998201021.0low001200
Infertility, Female01988201821.0low010010
Infertility, Male01994200624.0low101100
Inflammation01963202310.8low1117267319
Inflammatory Bowel Diseases01992202316.8low101311
Injuries01951199544.4low041000
Injuries, Multiple01989198935.0low010000
Injuries, Radiation01963196460.5low020000
Injury, Ischemia-Reperfusion01994202321.2low006011
Injury, Myocardial Reperfusion01993201917.4low002120
Innate Inflammatory Response01963202310.8low1117267319
Insulin Resistance01987202313.8low41319254
Insulin Sensitivity01987202313.8low41319254
Insulinoma02002201916.8low000510
Intellectual Disability02001202312.0low000101
Intertrochanteric Fractures02012201212.0low000010
Intestinal Diseases02000201914.5low001010
Intestinal Neoplasms02000200422.0low001100
Intestinal Polyps02008200816.0low000100
Intraocular Pressure01982198242.0low010000
Invasiveness, Neoplasm01994201918.8low008560
Iridocyclitis0202320231.0low000001
Iron Overload0202120213.0low000001
Ischemia0202020204.0low000010
Ischemic Stroke0202220222.0low000001
Itching01963201920.3low211140
Jaundice, Neonatal01994199430.0low101000
Joint Pain02006200618.0low100100
Kahler Disease01997202115.0low001001
Keloid01997200025.5low004000
Keratoconjunctivitis Sicca02003200321.0low100100
Kidney Calculi01963200042.5low011000
Kidney Diseases01988201324.8low012020
Kidney Diseases, Cystic0201520159.0low000010
Kidney Failure02003200321.0low000100
Kidney Failure, Chronic01983200529.4low033200
Kidney Neoplasms0202320231.0low000002
Kidney Stones01963200042.5low011000
Kidney, Polycystic02003200719.0low000200
Koch's Disease01999199925.0low001000
Kwashiorkor01986199930.7low012000
Lactose Intolerance02008200816.0low000100
Laryngeal Neoplasms01997199727.0low001000
Lassitude02014201410.0low100010
Leanness02001200123.0low000100
Learning Disabilities01984200629.0low010100
Left Ventricular Hypertrophy02009200915.0low000100
Leg Dermatoses0201720177.0low100010
Leiomyosarcoma02009200915.0low000100
Leiomyosarcoma, Epithelioid02009200915.0low000100
Leishmania Infection01991199133.0low001000
Leishmaniasis01991199133.0low001000
Leishmaniasis, American0201820186.0low000010
Leishmaniasis, Cutaneous0201820186.0low000010
Leishmaniasis, Visceral0202020204.0low000020
Leprosy01991199133.0low001000
Leptospirosis02005200519.0low000100
Leucocythaemia01985200924.9low012400
Leukemia01985200924.9low012400
Leukemia, Acute Monocytic02008200816.0low000100
Leukemia, Basophilic, Acute01992199829.0low002000
Leukemia, Erythroblastic, Acute02000200024.0low001000
Leukemia, Lymphocytic01988198836.0low010000
Leukemia, Lymphocytic, T Cell01989198935.0low010000
Leukemia, Lymphoid01988198836.0low010000
Leukemia, Monocytic, Acute02008200816.0low000100
Leukemia, Myeloid, Acute0201320236.0low000011
Leukemia, Promyelocytic, Acute01993199331.0low002000
Leukemia, T-Cell01989198935.0low010000
Leukocytopenia01987198737.0low010000
Leukopenia01987198737.0low010000
Libman-Sacks Disease02000200322.5low001100
Lichen Planus, Oral0201920195.0low000010
Lipid Metabolism Disorders01962202217.0low010003
Lipid Metabolism, Inborn Error01990199034.0low001000
Lipidoses01959198556.5low040000
Liver Cirrhosis01959202336.0low153101
Liver Cirrhosis, Alcoholic01986199533.5low011000
Liver Cirrhosis, Biliary01959195965.0low010000
Liver Diseases01954202033.8low072250
Liver Diseases, Alcoholic01986201525.8low022310
Liver Dysfunction01954202033.8low072250
Liver Failure02000200024.0low001000
Liver Neoplasms01984202217.6low12912104
Liver Steatosis01963202024.7low1721280
Local Neoplasm Recurrence02008202110.5low100211
Luft Disease02002200222.0low000100
Lung Adenocarcinoma0201920195.0low000010
Lung Diseases01963196361.0low020000
Lung Diseases, Obstructive02008200816.0low000100
Lung Injury, Acute02009200915.0low000100
Lung Neoplasms01987202322.2low0410633
Lupus Erythematosus, Systemic02000200322.5low001100
Lymph Node Metastasis01997200125.0low001100
Lymphocytopenia02003200321.0low000100
Lymphoma01992199232.0low001000
Lymphoma, Non-Hodgkin02006201314.5low000110
Lymphopenia02003200321.0low000100
Macular Degeneration02001202114.7low000411
Magnesium Deficiency01989198935.0low010000
Malabsorption Syndromes01982199932.8low122000
Malaria01988200228.2low013100
Malaria, Falciparum01994199927.5low002000
Malassezia furfur Infection01996199628.0low001000
Malignant Melanoma01987201819.7low011520
Malnourishment0201120229.3low100021
Malnutrition0201120229.3low100021
Marasmus01981202225.5low134111
Mastitis, Bovine0201520197.0low000020
Maternal Obesity0202320231.0low000001
Measles01999199925.0low001000
Melanoma01987201819.7low011520
Melanosis02002201217.0low100110
Memory Disorders01984201723.5low010010
Meningeal Neoplasms01993199331.0low001000
Meningioma01993199331.0low001000
Menopause01997201617.5low001010
Metabolic Acidosis01964200340.5low010100
Metabolic Diseases01993202210.5low001021
Metabolic Skin Diseases0201520159.0low000010
Metabolic Syndrome02002202210.9low3008112
Metabolically Benign Obesity0201520159.0low000010
Metabolism, Inborn Errors01985201027.5low012100
Metaplasia0201720177.0low000010
Metastase01987201824.5low0410730
Migraine Disorders01983201815.0low110030
Mitochondrial Diseases02010201014.0low000100
Mitochondrial Myopathies02002200222.0low000100
Mood Disorders0201720177.0low000010
Morbid Obesity0202120213.0low100001
Mouth Neoplasms0201520159.0low000010
MS (Multiple Sclerosis)01965199139.2low2152000
Mucopolysaccharidosis I0201720177.0low000010
Mucositis0201320226.5low000011
Multiple Myeloma01997202115.0low001001
Multiple Sclerosis01965199139.2low2152000
Muscle Contraction01982201624.7low242240
Muscle Disorders01981198541.0low020000
Muscle Relaxation01993199331.0low001000
Muscular Atrophy0202220222.0low000001
Muscular Diseases01981198541.0low020000
Muscular Dystrophies01964198754.0low040000
Muscular Dystrophy01964198754.0low040000
Muscular Dystrophy, Animal01991199332.0low002000
Muscular Dystrophy, Duchenne02006200618.0low000100
Mycosis Fungoides01992199232.0low001000
Myocardial Infarction01963202225.7low3103853
Myocardial Ischemia01993201919.0low003130
Nasal Catarrh01997199727.0low001000
Nasal Polyps01992199232.0low001000
Neck Pain0201620168.0low100010
Necrosis01963200828.8low022500
Necrotizing Enterocolitis0201620168.0low000010
Neoplasm Metastasis01987201824.5low0410730
Neoplasms11955202220.9low071324212
Nephritis01991199133.0low001000
Nephrocalcinosis02005200519.0low000100
Nerve Degeneration02011201113.0low000010
Nervous System Diseases0202020204.0low000010
Nervous System Disorders0202020204.0low000010
Neuritis0201620168.0low000010
Neuroblastoma01984202324.7low055032
Neurodegenerative Diseases0201120227.0low000021
Neuromyelitis Optica0202220222.0low000001
Non-alcoholic Fatty Liver Disease0201020235.4low100166
Non-communicable Chronic Diseases0201720177.0low000010
Nutrition Disorders01965200332.8low030300
Nutritional Disorders01965200332.8low030300
Obesity11964202312.9low1358256314
Obesity, Morbid0202120213.0low100001
Obstructive Lung Diseases02008200816.0low000100
Odontalgia02013201311.0low000010
Onchocerciasis02000200024.0low001000
Ornithine Carbamoyltransferase Deficiency Disease01997199727.0low001000
Oropharyngeal Neoplasms0201520159.0low000010
Orthomyxoviridae Infections02005200519.0low000100
Osteoarthritis02008201910.0low000120
Osteoporosis02005202011.7low000120
Otitis Externa02000200024.0low001000
Ovarian Neoplasms01963202218.7low011022
Overweight0200820227.7low4001102
Pain01985202214.8low021582
Pain, Chronic0201620225.0low100011
Palmoplantaris Pustulosis01952202223.1low231132
Pancreatic Insufficiency01985201626.4low130020
Pancreatic Neoplasms01985200824.9low117700
Pancreatitis01986201926.1low225020
Papilloma01991200028.3low003000
Papilloma, Squamous Cell01991200028.3low003000
Papillomavirus Infections0202020204.0low000010
Paramyxoviridae Infections01993199331.0low001000
Parasitemia01995202016.5low001010
Parkinson Disease0201120226.3low000021
Parkinsonian Disorders0201120189.3low000030
Peanut Hypersensitivity0202120213.0low000001
Pellagra01993199331.0low001000
Pelvic Pain0202320231.0low000001
Peptic Ulcer01993199430.5low002000
Pericementitis01982198242.0low010000
Periodontitis01982198242.0low010000
Peripheral Arterial Disease02012201212.0low000010
Peripheral Arterial Diseases02012201212.0low000010
Peripheral Nerve Diseases02007202012.3low000210
Peripheral Nervous System Diseases02007202012.3low000210
Peripheral Vascular Diseases02007200717.0low000100
Peritoneal Carcinomatosis01995201319.3low001110
Peritoneal Neoplasms01995201319.3low001110
Pervasive Child Development Disorders02014201410.0low000010
Petechiae01957195767.0low010000
Phenylketonurias01995199827.5low002000
Pigmentary Retinopathy01963196460.5low020000
Plasma Cell Tumor01986198638.0low010000
Plasmacytoma01986198638.0low010000
Plasmodium falciparum Malaria01994199927.5low002000
Pleural Effusion01964196460.0low010000
Pleurisy01963196361.0low010000
Pneumococcal Infections01994199430.0low001000
Pneumonia01985200625.3low010200
Pneumonia, Viral02003202012.5low000110
Poisoning01989198935.0low010000
Poliomyelitis02011201113.0low000010
Polyarthritis01995199529.0low001000
Polycystic Kidney Diseases02003200719.0low000200
Polycystic Ovarian Syndrome02011201710.0low100020
Polycystic Ovary Syndrome02011201710.0low100020
Polyploid0202020204.0low000010
Polyuria01984198440.0low010000
Postoperative Complications01986199434.0low111000
Poultry Diseases01960200939.9low032200
Pre-Eclampsia01985201820.2low123540
Precancerous Conditions01987201726.6low034310
Precursor Cell Lymphoblastic Leukemia-Lymphoma0202120213.0low000001
Pregnancy01955202321.9low153959564916
Pregnancy in Diabetes01985200230.5low010100
Premature Birth02005201810.3low000120
Premenstrual Syndrome01984199036.7low021000
Premenstrual Tension01984199036.7low021000
Preterm Birth02005201810.3low000120
Prostatic Hyperplasia02004200420.0low000100
Prostatic Neoplasms01989202020.4low11111870
Protein-Energy Malnutrition01981202225.5low134111
Proteinuria01985200331.1low041200
Pruritus01963201920.3low211140
Pseudomonas Infections02004200420.0low000100
Psoriasis01952202223.1low231132
Psychoses0201320188.5low100040
Psychotic Disorders0201320188.5low100040
Puerperal Disorders02000200024.0low001000
Pulmonary Arterial Remodeling0201820186.0low000010
Pulmonary Disease, Chronic Obstructive0201220217.7low000021
Pulmonary Fibrosis0201620168.0low000010
Pulmonary Hypertension01996202314.5low001001
Purpura01957195767.0low010000
Pyruvate Dehydrogenase Complex Deficiency Disease01985198539.0low010000
Radiodermatitis01964200937.5low010100
Recrudescence01983201524.5low111110
Rectal Neoplasms01999201915.0low001010
Refeeding Syndrome02011201113.0low000010
Refractive Errors02003200321.0low100100
Renal Insufficiency02003200321.0low000100
Renal Insufficiency, Chronic0201420188.7low000030
Reperfusion Injury01994202321.2low006011
Reproductive Sterility01998201021.0low001200
Respiratory Distress Syndrome01994200028.0low003000
Respiratory Distress Syndrome, Newborn02000200123.5low001100
Respiratory Insufficiency01995199529.0low001000
Respiratory Tract Diseases01963196361.0low010000
Respiratory Tract Infections01994201022.0low101100
Reticulum Cell-Like Sarcoma, Yoshida01995199529.0low001000
Retinal Degeneration01986199634.0low021000
Retinal Diseases0201820186.0low000010
Retinitis Pigmentosa01963196460.5low020000
Retinoblastoma01984198440.0low010000
Rheumatoid Arthritis01985202323.0low123011
Rhinitis01997199727.0low001000
Rhinitis, Allergic, Nonseasonal02008200816.0low000100
Rhinitis, Allergic, Perennial02008200816.0low000100
Rhinitis, Allergic, Seasonal02008200816.0low000100
Rodent Diseases02012201212.0low000010
Rosacea0201720177.0low000010
Rubeola01999199925.0low001000
Sarcoma01962196262.0low020000
Sarcoma, Epithelioid01962196262.0low020000
Schistosoma mansoni Infection01994201022.0low001100
Schistosomiasis01964196460.0low010000
Schistosomiasis mansoni01994201022.0low001100
Schizophrenia01981201821.2low022040
Seizures01998200920.5low001100
Sensitivity and Specificity01997202118.6low1011911
Sepsis01983202219.7low010101
Severe Acute Malnutrition0202220231.7low200003
Shock, Septic02010201014.0low000100
Short Bowel Syndrome01999200921.0low001200
Sicca Syndrome02005200519.0low100100
Sjogren-Larsson Syndrome0201720177.0low000010
Sjogren's Syndrome02005200519.0low100100
Skin Aging0200720207.6low100140
Skin Diseases01993202014.8low102130
Skin Neoplasms01987200924.2low028700
Sleep Apnea, Obstructive0202320231.0low000001
Sleep Disorders, Circadian Rhythm02009200915.0low000100
Spider Veins0201620168.0low000010
ST Elevated Myocardial Infarction0202220222.0low000001
ST Elevation Myocardial Infarction0202220222.0low000001
Staphylococcal Infections01992202310.8low001031
Staphylococcal Skin Infections02013201311.0low000010
Starvation01965201930.2low020210
Stasis Ulcer02008200816.0low100100
Steatorrhea01964196460.0low010000
Sterility, Female01988201821.0low010010
Sterility, Male01994200624.0low101100
Stillbirth02012201212.0low000010
Stomach Neoplasms01986201320.1low0121030
Stomach Ulcer01988202218.8low011111
Streptococcal Infections0201720177.0low000010
Stroke0200320209.3low0002100
Stunted Growth01996201817.8low102120
Subarachnoid Hemorrhage02002200222.0low000100
Substance Withdrawal Syndrome01985198738.0low020000
Sunburn02012201212.0low000010
Swine Diseases01965200231.8low010300
Symptom Cluster01954201638.1low042110
Syndrome01954201638.1low042110
Syphilis0202320231.0low000001
Telangiectasis0201620168.0low000010
Tendinitis0201520159.0low000010
Tendinopathy0201520159.0low000010
Tetralogy of Fallot01987198737.0low010000
Thiamine Deficiency01965196559.0low010000
Thrombosis01964202228.8low038111
Thymoma02005200519.0low000100
Thymus Neoplasms02005200519.0low000100
Thyroid Neoplasms0202020204.0low000010
Tinea Versicolor01996199628.0low001000
Toothache02013201311.0low000010
Tremor02014201410.0low000010
Triple Negative Breast Neoplasms0201820205.0low000020
Trypanosomiasis, African0202020204.0low000010
Tuberculosis01999199925.0low001000
Uremia01992202117.0low001101
Urinary Bladder Neoplasms01995200423.2low001300
Urinary Bladder, Overactive0202320231.0low000001
Urinary Tract Infections02012201212.0low000010
Urticaria01995199529.0low001000
Uterine Cervical Neoplasms01987199833.8low031000
Uterine Neoplasms01985200031.5low011000
Varicocele01994199430.0low101000
Varicose Ulcer02008200816.0low100100
Vascular Diseases01991199133.0low001000
Vasospasm, Intracranial02002200222.0low000100
Ventricular Fibrillation02000202213.0low001001
Viral Diseases0202320231.0low000001
Virus Diseases0202320231.0low000001
Vitamin A Deficiency01995200026.5low002000
Vitamin D Deficiency01983198341.0low010000
Wasting Disease02002200222.0low000100
Weight Gain01960202321.6low512426141
Weight Loss01999201320.8low103710
Weight Reduction01999201320.8low103710
Wounds and Injuries01951199544.4low041000
Xeroderma01986202214.0low010002
Zika Virus Infection0202020204.0low000010
Zoonoses02002200222.0low000100

Safety/Toxicity (69)

ArticleYear
Circulating microRNAs as novel biomarkers for measuring the potency of ginger extract against cyclophosphamide toxicity in rat renal tissues: molecular and histopathological study.
European review for medical and pharmacological sciences, , Volume: 27, Issue:22
2023
In Vitro Cytotoxicity and Cytokine Production by Lipid-Substituted Low Molecular Weight Branched PEIs Used for Gene Delivery.
Acta biomaterialia, , Volume: 148
2022
Efficacy and safety of a topical moisturizer containing linoleic acid and ceramide for mild-to-moderate psoriasis vulgaris: A multicenter randomized controlled trial.
Dermatologic therapy, , Volume: 33, Issue:6
2020
Linoleic acid promotes testosterone production by activating Leydig cell GPR120/ ERK pathway and restores BPA-impaired testicular toxicity.
Steroids, , Volume: 163
2020
Photothermal-pH-hypoxia responsive multifunctional nanoplatform for cancer photo-chemo therapy with negligible skin phototoxicity.
Biomaterials, , Volume: 221
2019
How to safeguard an appropriate "all trans retinoic acid" concentration to keep cell division on track: Exploring therapeutic hotspots from metabolomics.
Medical hypotheses, , Volume: 121
2018
Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles.
Bioorganic & medicinal chemistry, , 12-01, Volume: 26, Issue:22
2018
Assessment of antimicrobial, antioxidant and cytotoxicity properties of Camellia sinensis L.
Pakistan journal of pharmaceutical sciences, , Volume: 31, Issue:4
2018
Antimicrobial, antioxidant, cytotoxicity and LC-MS analyses of Aerva javanica: an ethnomedicinally important plant.
Journal of biological regulators and homeostatic agents, , Volume: 31, Issue:4
ALA/LA ameliorates glucose toxicity on HK-2 cells by attenuating oxidative stress and apoptosis through the ROS/p38/TGF-β
Lipids in health and disease, , Nov-16, Volume: 16, Issue:1
2017
Fabrication of size-controlled linoleic acid particles and evaluation of their in-vitro lipotoxicity.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 100
2017
Photosensitized rose Bengal-induced phototoxicity on human melanoma cell line under natural sunlight exposure.
Journal of photochemistry and photobiology. B, Biology, , Volume: 156
2016
ω-6 (18:2) and ω-3 (18:3) fatty acids in reconstituted high-density lipoproteins show different functionality of anti-atherosclerotic properties and embryo toxicity.
The Journal of nutritional biochemistry, , Volume: 26, Issue:12
2015
Protective effect of arachidonic acid and linoleic acid on 1-methyl-4-phenylpyridinium-induced toxicity in PC12 cells.
Lipids in health and disease, , Dec-19, Volume: 13
2014
Complexes between linoleate and native or aggregated β-lactoglobulin: interaction parameters and in vitro cytotoxic effect.
Food chemistry, , Dec-01, Volume: 141, Issue:3
2013
Fatty acid profile, oxidative stability and toxicological safety of bayberry kernel oil.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 60
2013
Novel surfactants with diglutamic acid polar head group: drug solubilization and toxicity studies.
Pharmaceutical research, , Volume: 29, Issue:7
2012
The saturated fatty acid palmitate induces human monocytic cell toxicity toward neuronal cells: exploring a possible link between obesity-related metabolic impairments and neuroinflammation.
Journal of Alzheimer's disease : JAD, , Volume: 30 Suppl 2
2012
Cell density-dependent linoleic acid toxicity to Saccharomyces cerevisiae.
FEMS yeast research, , Volume: 11, Issue:5
2011
Decreasing the oxidative potential of TiO(2) nanoparticles through modification of the surface with carbon: a new strategy for the production of safe UV filters.
Chemical communications (Cambridge, England), , Nov-28, Volume: 46, Issue:44
2010
Toxicity of unsaturated fatty acids to the biohydrogenating ruminal bacterium, Butyrivibrio fibrisolvens.
BMC microbiology, , Feb-18, Volume: 10
2010
Lipid-dependent cytotoxicity by the lipase PLRP2 and by PLRP2-positive cytotoxic T lymphocytes (CTLs).
Cell biochemistry and function, , Volume: 27, Issue:5
2009
Cytotoxicity of oxidised lipids in cultured colonal human intestinal cancer cells (caco-2 cells).
Toxicology letters, , Aug-28, Volume: 180, Issue:3
2008
Tolerability and safety of olive oil-based lipid emulsion in critically ill neonates: a blinded randomized trial.
Nutrition (Burbank, Los Angeles County, Calif.), , Volume: 24, Issue:11-12
In vitro phototoxicity of dihydropyridine derivatives: a photochemical and photobiological study.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, , Mar-03, Volume: 33, Issue:3
2008
Lipotoxic effects of triacylglycerols in J774.2 macrophages.
Nutrition (Burbank, Los Angeles County, Calif.), , Volume: 24, Issue:2
2008
Photodegradation and in vitro phototoxicity of aceclofenac.
Die Pharmazie, , Volume: 62, Issue:5
2007
Evidence that 4-aminobiphenyl, benzidine, and benzidine congeners produce genotoxicity through reactive oxygen species.
Environmental and molecular mutagenesis, , Volume: 48, Issue:5
2007
Metabolism of polyunsaturated fatty acids and their toxicity to the microflora of the rumen.
Antonie van Leeuwenhoek, , Volume: 91, Issue:4
2007
Fatty acid-induced toxicity and neutral lipid accumulation in insulin-producing RINm5F cells.
Toxicology in vitro : an international journal published in association with BIBRA, , Volume: 20, Issue:7
2006
Microbially safe utilization of non-inactivated oats (Avena sativa L.) for production of conjugated linoleic acid.
Journal of agricultural and food chemistry, , Feb-08, Volume: 54, Issue:3
2006
Comparative toxicity of oleic and linoleic acid on human lymphocytes.
Life sciences, , Feb-23, Volume: 78, Issue:13
2006
Adverse physicochemical properties of tripalmitin in beta cells lead to morphological changes and lipotoxicity in vitro.
Diabetologia, , Volume: 48, Issue:9
2005
Comparative toxicity of oleic acid and linoleic acid on Raji cells.
Nutrition (Burbank, Los Angeles County, Calif.), , Volume: 21, Issue:3
2005
Photochemistry and phototoxicity of fluocinolone 16,17-acetonide.
Photochemistry and photobiology, , Volume: 81, Issue:2
Comparative toxicity of oleic acid and linoleic acid on Jurkat cells.
Clinical nutrition (Edinburgh, Scotland), , Volume: 23, Issue:4
2004
A subchronic 90-day oral rat toxicity study and in vitro genotoxicity studies with a conjugated linoleic acid product.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 41, Issue:12
2003
Final report on the amended safety assessment of diisopropyl dimer dilinoleate, dicetearyl dimer dilinoleate, diisostearyl dimer dilinoleate, dioctyl dimer dilinoleate, dioctyldodecyl dimer dilinoleate, and ditridecyl dimer dilinoleate.
International journal of toxicology, , Volume: 22 Suppl 2
2003
Inhibition of excitotoxicity in cultured rat cortical neurons by a mixture of conjugated linoleic acid isomers.
Pharmacological research, , Volume: 47, Issue:4
2003
Potent cytotoxic effect of the trans10, cis12 isomer of conjugated linoleic acid on rat hepatoma dRLh-84 cells.
Cancer letters, , Dec-15, Volume: 188, Issue:1-2
2002
Studies on the photostability and phototoxicity of aloe-emodin, emodin and rhein.
Die Pharmazie, , Volume: 57, Issue:6
2002
Troglitazone ameliorates lipotoxicity in the beta cell line INS-1 expressing PPAR gamma.
Diabetes research and clinical practice, , Volume: 56, Issue:2
2002
Modification of doxorubicin-induced cardiotoxicity: effect of essential fatty acids and ICRF-187 (dexrazoxane).
European journal of cancer (Oxford, England : 1990), , Volume: 37, Issue:11
2001
Defining mechanisms of toxicity for linoleic acid monoepoxides and diols in Sf-21 cells.
Chemical research in toxicology, , Volume: 14, Issue:4
2001
The role of methyl-linoleic acid epoxide and diol metabolites in the amplified toxicity of linoleic acid and polychlorinated biphenyls to vascular endothelial cells.
Toxicology and applied pharmacology, , Mar-15, Volume: 171, Issue:3
2001
Olive oil prevents the adverse effects of dietary conjugated linoleic acid on chick hatchability and egg quality.
The Journal of nutrition, , Volume: 131, Issue:3
2001
Studies on the in vitro phototoxicity of the antidiabetes drug glipizide.
In vitro & molecular toxicology, ,Spring, Volume: 13, Issue:1
2000
Linoleic acid cytotoxicity to bovine lens epithelial cells: influence of albumin on linoleic acid uptake and cytotoxicity.
Ophthalmic research, , Volume: 32, Issue:2-3
Glutathione (GSH) and the toxicity of oxidised low-density lipoprotein to human monocyte-macrophages.
Free radical research, , Volume: 30, Issue:1
1999
Modulation of metal-induced cytotoxicity by maillard reaction products isolated from coffee brew.
Journal of toxicology and environmental health. Part A, , Sep-25, Volume: 55, Issue:2
1998
Influence of altered plasma membrane fatty acid composition on cesium transport characteristics and toxicity in Saccharomyces cerevisiae.
Canadian journal of microbiology, , Volume: 43, Issue:10
1997
Improvement of the pulmonary absorption of (Asu1,7)-eel calcitonin by various absorption enhancers and their pulmonary toxicity in rats.
Journal of pharmaceutical sciences, , Volume: 86, Issue:10
1997
Cytotoxicity of linoleic acid diols to renal proximal tubular cells.
Toxicology and applied pharmacology, , Volume: 146, Issue:1
1997
Oleic acid incorporation protects cultured hamster fibroblasts from oxygen-induced cytotoxicity.
The Journal of nutrition, , Volume: 126, Issue:12
1996
Copper toxicity towards Saccharomyces cerevisiae: dependence on plasma membrane fatty acid composition.
Applied and environmental microbiology, , Volume: 62, Issue:11
1996
Cytotoxicity of phosphatidylcholine hydroperoxides is exerted through decomposition of fatty acid hydroperoxide moiety.
Free radical biology & medicine, , Volume: 21, Issue:2
1996
Plasma fatty acid responses, metabolic effects, and safety of microalgal and fungal oils rich in arachidonic and docosahexaenoic acids in healthy adults.
The American journal of clinical nutrition, , Volume: 64, Issue:2
1996
Essential fatty acid deficiency in cultured human keratinocytes attenuates toxicity due to lipid peroxidation.
Toxicology and applied pharmacology, , Volume: 120, Issue:1
1993
Dietary n-3 fatty acids alter murine peritoneal macrophage cytotoxicity.
Annals of nutrition & metabolism, , Volume: 37, Issue:3
1993
Reduced cytotoxicity of a root canal sealer through eugenol substitution.
Journal of endodontics, , Volume: 19, Issue:11
1993
An incident of elevated levels of unsaturated free fatty acids in mussels from Nova Scotia and their toxic effect in mice after intraperitoneal injection.
Natural toxins, , Volume: 2, Issue:5
1994
Phospholipid hydrolysis of mildly oxidized LDL reduces their cytotoxicity to cultured endothelial cells. Potential protective role against atherogenesis.
Biochimica et biophysica acta, , Jun-06, Volume: 1256, Issue:3
1995
Hematopoietic toxicity of linoleic acid anilide: importance of aniline.
Fundamental and applied toxicology : official journal of the Society of Toxicology, , Volume: 25, Issue:2
1995
Treatment of acute lithium toxicity.
Veterinary and human toxicology, , Volume: 26, Issue:1
1984
Metabolic fate of liposomal phosphatidylinositol in murine tumor cells: implications for the mechanism of tumor cell cytotoxicity.
Cancer research, , Volume: 45, Issue:10
1985
Antitumor activity of D-mannosamine in vitro: cytotoxic effect produced by mannosamine in combination with free fatty acids on human leukemia T-cell lines.
Japanese journal of clinical oncology, , Volume: 15, Issue:3
1985
Synergistic vascular toxicity and fatty acid anilides in the toxic oil syndrome.
Journal of the American College of Cardiology, , Volume: 18, Issue:7
1991
Cytotoxicity of fatty acid oxygenase activation in rat basophilic leukemia cells.
Clinical immunology and immunopathology, , Volume: 62, Issue:1 Pt 1
1992
The effect of monosaturated and polyunsaturated fatty acids on oxygen toxicity in cultured cells.
Pediatric research, , Volume: 32, Issue:3
1992

Long-term Use (20)

ArticleYear
Linoleic Acid in Adipose Tissue and Development of Ischemic Stroke: A Danish Case-Cohort Study.
Journal of the American Heart Association, , 06-26, Volume: 7, Issue:13
2018
Essential Fatty Acids Linoleic Acid and α-Linolenic Acid Sex-Dependently Regulate Glucose Homeostasis in Obesity.
Molecular nutrition & food research, , Volume: 62, Issue:17
2018
Serum Trans Fatty Acids Are Not Associated with Weight Gain or Linear Growth in School-Age Children.
The Journal of nutrition, , Volume: 145, Issue:9
2015
The change in low-density lipoprotein cholesterol concentration is positively related to plasma docosahexaenoic acid but not eicosapentaenoic acid.
Journal of atherosclerosis and thrombosis, , Volume: 19, Issue:7
2012
Dietary olive oil prevents carbon tetrachloride-induced hepatic fibrosis in mice.
Journal of gastroenterology, , Volume: 44, Issue:9
2009
Chronic valproate does not alter the kinetics of docosahexaenoic acid within brain phospholipids of the unanesthetized rat.
Psychopharmacology, , Volume: 182, Issue:1
2005
Soluble epoxide hydrolase inhibition protects the kidney from hypertension-induced damage.
Journal of the American Society of Nephrology : JASN, , Volume: 15, Issue:5
2004
Adipose tissue biomarkers of fatty acid intake.
The American journal of clinical nutrition, , Volume: 76, Issue:4
2002
Increased energy metabolism and suppressed body fat accumulation in mice by a low concentration of conjugated linoleic acid.
Bioscience, biotechnology, and biochemistry, , Volume: 65, Issue:10
2001
Polyunsaturated fatty acid supply with human milk. Physiological aspects and in vivo studies of metabolism.
Advances in experimental medicine and biology, , Volume: 478
2000
Diet-induced change in fatty acid composition of plasma triacylglycerols is not associated with change in glucagon-like peptide 1 or insulin sensitivity in people with type 2 diabetes.
The American journal of clinical nutrition, , Volume: 72, Issue:5
2000
Chemoprevention studies of heterocyclic amine-induced colon carcinogenesis.
Cancer letters, , Sep-01, Volume: 143, Issue:2
1999
Modulation of learning and neuronal membrane composition in the rat by essential fatty acid preparation: time-course analysis.
Neurochemical research, , Volume: 23, Issue:5
1998
Differential and interactive effects of calcium channel blockers and cholesterol content of the diet on jejunal uptake of lipids in rabbits.
Lipids, , Volume: 29, Issue:4
1994
Swimming endurance capacity of mice is increased by chronic consumption of medium-chain triglycerides.
The Journal of nutrition, , Volume: 125, Issue:3
1995
Ethanol, essential fatty acids and prostaglandins.
Pharmacology, biochemistry, and behavior, , Volume: 18 Suppl 1
1983
Modulation of rat gastric mucosal prostaglandin E2 release by dietary linoleic acid: effects on gastric acid secretion and stress-induced mucosal damage.
Gastroenterology, , Volume: 95, Issue:1
1988
Inducing effects of chronic administration of isoproterenol on 1-acyl-sn-glycero-3-phosphate and 1-acyl-sn-glycero-3-phosphocholine acyltransferases in rat parotid salivary gland.
Comparative biochemistry and physiology. C, Comparative pharmacology and toxicology, , Volume: 90, Issue:2
1988
[Changes in the free fatty acid composition of rat salivary glands induced by chronic administration of isoproterenol].
Gifu Shika Gakkai zasshi = The Journal of Gifu Dental Society, , Volume: 17, Issue:2
1990
The effects of chronic administration of ethanol on synaptosomal fatty acid composition: modulation by oil enriched with gamma-linolenic acid.
Alcohol and alcoholism (Oxford, Oxfordshire), , Volume: 27, Issue:1
1992

Pharmacokinetics (10)

ArticleYear
Nanoparticulate tablet dosage form of lisofylline-linoleic acid conjugate for type 1 diabetes: in situ single-pass intestinal perfusion (SPIP) studies and pharmacokinetics in rat.
AAPS PharmSciTech, , Mar-24, Volume: 22, Issue:3
2021
Plasma and Red Blood Cell Membrane Accretion and Pharmacokinetics of RT001 (bis-Allylic 11,11-D2-Linoleic Acid Ethyl Ester) during Long Term Dosing in Patients.
Journal of pharmaceutical sciences, , Volume: 109, Issue:11
2020
Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles.
Bioorganic & medicinal chemistry, , 12-01, Volume: 26, Issue:22
2018
Pharmacokinetics of formulated tenoxicam transdermal delivery systems.
The Journal of pharmacy and pharmacology, , Volume: 60, Issue:1
2008
Mechanism of insulin-stimulated clearance of plasma nonesterified fatty acids in humans.
American journal of physiology. Endocrinology and metabolism, , Volume: 292, Issue:3
2007
Effect of linoleic acid and gamma-linolenic acid on tear production, tear clearance and on the ocular surface after photorefractive keratectomy.
Graefe's archive for clinical and experimental ophthalmology = Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie, , Volume: 241, Issue:7
2003
Does the rate of fat deposition influence the pharmacokinetic disposition of subcutaneously administered moxidectin and ivermectin in pigs?
Journal of veterinary pharmacology and therapeutics, , Volume: 25, Issue:5
2002
A phase II study of the 5-lipoxygenase inhibitor, CV6504, in advanced pancreatic cancer: correlation of clinical data with pharmacokinetic and pharmacodynamic endpoints.
Annals of oncology : official journal of the European Society for Medical Oncology, , Volume: 11, Issue:9
2000
Increased mean platelet volume after oestrogen replacement therapy.
Annals of clinical biochemistry, , Volume: 33 ( Pt 6)
1996
Plasma clearance and hepatic utilization of stearic, myristic and linoleic acids introduced via chylomicrons in rats.
Lipids, , Volume: 28, Issue:8
1993

Bioavailability (38)

ArticleYear
The activities and mechanisms of intestinal microbiota metabolites of TCM herbal ingredients could be illustrated by a strategy integrating spectrum-effects, network pharmacology, metabolomics and molecular docking analysis: Platycodin D as an example.
Phytomedicine : international journal of phytotherapy and phytopharmacology, , Volume: 115
2023
Improving cellular uptake and bioavailability of periplocymarin-linoleic acid prodrug by combining PEGylated liposome.
Drug delivery, , Volume: 29, Issue:1
2022
Bioavailability and biotransformation of linolenic acid from basil seed oil as a novel source of omega-3 fatty acids tested on a rat experimental model.
Food & function, , Jul-18, Volume: 13, Issue:14
2022
Adverse effects of linoleic acid: Influence of lipid oxidation on lymphatic transport of citrus flavonoid and enterocyte morphology.
Food chemistry, , Feb-01, Volume: 369
2022
Natural sesame oil is superior to pre-digested lipid formulations and purified triglycerides in promoting the intestinal lymphatic transport and systemic bioavailability of cannabidiol.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, , Volume: 162
2021
Linoleic acid-derived 13-hydroxyoctadecadienoic acid is absorbed and incorporated into rat tissues.
Biochimica et biophysica acta. Molecular and cell biology of lipids, , Volume: 1866, Issue:3
2021
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5
2019
Design, Synthesis, and Preclinical Efficacy of Novel Nonretinoid Antagonists of Retinol-Binding Protein 4 in the Mouse Model of Hepatic Steatosis.
Journal of medicinal chemistry, , 06-13, Volume: 62, Issue:11
2019
Self-assembling lisofylline-fatty acid conjugate for effective treatment of diabetes mellitus.
Nanomedicine : nanotechnology, biology, and medicine, , Volume: 15, Issue:1
2019
Quantitative Prediction of Oral Bioavailability of a Lipophilic Antineoplastic Drug Bexarotene Administered in Lipidic Formulation Using a Combined In Vitro Lipolysis/Microsomal Metabolism Approach.
Journal of pharmaceutical sciences, , Volume: 108, Issue:2
2019
Linoleic acid reduces vascular reactivity and improves the vascular dysfunction of the small mesentery in hypertension.
The Journal of nutritional biochemistry, , Volume: 62
2018
Therapeutic efficacy of lipid emulsions of docetaxel-linoleic acid conjugate in breast cancer.
International journal of pharmaceutics, , Jul-30, Volume: 546, Issue:1-2
2018
Using linoleic acid embedded cellulose acetate membranes to in situ monitor polycyclic aromatic hydrocarbons in lakes and predict their bioavailability to submerged macrophytes.
Environmental science & technology, , May-19, Volume: 49, Issue:10
2015
In vitro assessment of antioxidant activity of tyrosol, resveratrol and their acetylated derivatives.
Food chemistry, , Jun-15, Volume: 177
2015
Effects of lipid vehicle and P-glycoprotein inhibition on the mesenteric lymphatic transport of paclitaxel in unconscious, lymph duct-cannulated rats.
Drug delivery, , Volume: 23, Issue:1
2016
Anticancer efficacy of a novel propofol-linoleic acid-loaded escheriosomal formulation against murine hepatocellular carcinoma.
Nanomedicine (London, England), , Volume: 8, Issue:8
2013
Species differences in toxicokinetic parameters of glycidol after a single dose of glycidol or glycidol linoleate in rats and monkeys.
The Journal of toxicological sciences, , Volume: 37, Issue:4
2012
Enhanced anticancer activity of gemcitabine coupling with conjugated linoleic acid against human breast cancer in vitro and in vivo.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, , Volume: 82, Issue:2
2012
Long-chain polyunsaturated fatty acids in inborn errors of metabolism.
Nutrients, , Volume: 2, Issue:9
2010
Fatty acids and vitamins generate singlet oxygen under UVB irradiation.
Experimental dermatology, , Volume: 21, Issue:2
2012
Role of cytochrome P450 enzymes in the bioactivation of polyunsaturated fatty acids.
Biochimica et biophysica acta, , Volume: 1814, Issue:1
2011
Relative contribution of individual oxidized components in ox-LDL to inhibition on endothelium-dependent relaxation in rat aorta.
Nutrition, metabolism, and cardiovascular diseases : NMCD, , Volume: 21, Issue:3
2011
Development and biopharmaceutical evaluation of quinupramine-EVA matrix containing penetration enhancer for the enhanced transdermal absorption in rats.
Pharmaceutical development and technology, , Volume: 12, Issue:5
2007
Impact of foods nutritionally enhanced through biotechnology in alleviating malnutrition in developing countries.
Journal of AOAC International, , Volume: 90, Issue:5
Coping strategies and nutritional health in rural Niger: recommendations for consumption of wild plant foods in the Sahel.
International journal of food sciences and nutrition, , Volume: 57, Issue:5-6
Down-regulation of PPARgamma2-induced adipogenesis by PEGylated conjugated linoleic acid as the pro-drug: Attenuation of lipid accumulation and reduction of apoptosis.
Archives of biochemistry and biophysics, , Dec-01, Volume: 456, Issue:1
2006
Micellar oleic and eicosapentaenoic acid but not linoleic acid influences the beta-carotene uptake and its cleavage into retinol in rats.
Molecular and cellular biochemistry, , Volume: 288, Issue:1-2
2006
Inhibition of the metmyoglobin-induced peroxidation of linoleic acid by dietary antioxidants: Action in the aqueous vs. lipid phase.
Free radical research, , Volume: 39, Issue:5
2005
Effect of dietary conjugated linoleic acid (CLA) on metabolism of isotope-labeled oleic, linoleic, and CLA isomers in women.
Lipids, , Volume: 37, Issue:8
2002
The effects of intestinal infusion of long-chain fatty acids on food intake in humans.
Gastroenterology, , Volume: 119, Issue:4
2000
Enhanced enteral bioavailability of vancomycin using water-in-oil-in-water multiple emulsion incorporating highly purified unsaturated fatty acid.
Journal of pharmaceutical sciences, , Volume: 89, Issue:10
2000
15-Lipoxygenase catalytically consumes nitric oxide and impairs activation of guanylate cyclase.
The Journal of biological chemistry, , Jul-16, Volume: 274, Issue:29
1999
Assessments on the digestibility of oxidized compounds from [1-14C] linoleic acid using a combination of chromatographic techniques.
Journal of chromatography. B, Biomedical applications, , Jan-12, Volume: 675, Issue:1
1996
Selenium status of vegeterians, nonvegetarians, and hormone-dependent cancer subjects.
The American journal of clinical nutrition, , Volume: 37, Issue:1
1983
Whole body oxidation of dietary fatty acids: implications for energy utilization.
The American journal of clinical nutrition, , Volume: 42, Issue:5
1985
Effect of free fatty acids on the bioavailability of plasma testosterone and dihydrotestosterone.
Journal of steroid biochemistry, , Volume: 29, Issue:3
1988
[Skin changes, pathophysiology and therapy in deficiency of essential fatty acids].
Zeitschrift fur Hautkrankheiten, , Apr-15, Volume: 63, Issue:4
1988
Polyunsaturated fatty acids decrease the apparent affinity of vitamin D metabolites for human vitamin D-binding protein.
The Journal of steroid biochemistry and molecular biology, , Volume: 42, Issue:8
1992

Dosage (76)

ArticleYear
Linoleic acid ameliorates intestinal mucosal barrier injury in early weaned pigeon squabs (Columba livia).
Journal of animal science, , Jan-03, Volume: 101
2023
Exploring the effect of the Uyghur medicine Munziq Balgam on a collagen-induced arthritis rat model by UPLC-MS/MS-based metabolomics approach.
Journal of ethnopharmacology, , Jun-28, Volume: 310
2023
Effect of Short-Chain Fatty Acids and Polyunsaturated Fatty Acids on Metabolites in H460 Lung Cancer Cells.
Molecules (Basel, Switzerland), , Mar-03, Volume: 28, Issue:5
2023
Double blind trial of a deuterated form of linoleic acid (RT001) in Friedreich ataxia.
Journal of neurology, , Volume: 270, Issue:3
2023
Fabrication, characterization, and purification of nutraceutical diacylglycerol components from Camellia oil.
Journal of food science, , Volume: 87, Issue:9
2022
Nanoparticulate tablet dosage form of lisofylline-linoleic acid conjugate for type 1 diabetes: in situ single-pass intestinal perfusion (SPIP) studies and pharmacokinetics in rat.
AAPS PharmSciTech, , Mar-24, Volume: 22, Issue:3
2021
Plasma and Red Blood Cell Membrane Accretion and Pharmacokinetics of RT001 (bis-Allylic 11,11-D2-Linoleic Acid Ethyl Ester) during Long Term Dosing in Patients.
Journal of pharmaceutical sciences, , Volume: 109, Issue:11
2020
N-6 Polyunsaturated Fatty Acids and Risk of Cancer: Accumulating Evidence from Prospective Studies.
Nutrients, , Aug-20, Volume: 12, Issue:9
2020
Dietary intake of polyunsaturated fatty acids alleviates cognition deficits and depression-like behaviour via cannabinoid system in sleep deprivation rats.
Behavioural brain research, , 04-20, Volume: 384
2020
Preparation of High-Purity Trilinolein and Triolein by Enzymatic Esterification Reaction Combined with Column Chromatography.
Journal of oleo science, , Feb-01, Volume: 68, Issue:2
2019
The Use of Gene Ontology Term and KEGG Pathway Enrichment for Analysis of Drug Half-Life.
PloS one, , Volume: 11, Issue:10
2016
PPAR-α, a lipid-sensing transcription factor, regulates blood-brain barrier efflux transporter expression.
Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism, , Volume: 37, Issue:4
2017
Characterization of unsaturated fatty acid sustained-release microspheres for long-term algal inhibition.
Chemosphere, , Volume: 120
2015
Dietary linoleic acid and risk of coronary heart disease: a systematic review and meta-analysis of prospective cohort studies.
Circulation, , Oct-28, Volume: 130, Issue:18
2014
Is there an optimal dose for dietary linoleic acid? Lessons from essential fatty acid deficiency supplementation and adipocyte functions in rats.
Journal of physiology and biochemistry, , Volume: 70, Issue:2
2014
A polyethylenimine-linoleic acid conjugate for antisense oligonucleotide delivery.
BioMed research international, , Volume: 2013
2013
N-6 and N-3 fatty acid cholesteryl esters in relation to fatal CHD in a Dutch adult population: a nested case-control study and meta-analysis.
PloS one, , Volume: 8, Issue:5
2013
Dose-dependent consumption of farmed Atlantic salmon (Salmo salar) increases plasma phospholipid n-3 fatty acids differentially.
Journal of the Academy of Nutrition and Dietetics, , Volume: 113, Issue:2
2013
Effect of essential fatty acids on glucose-induced cytotoxicity to retinal vascular endothelial cells.
Lipids in health and disease, , Jul-10, Volume: 11
2012
Identification of enriched conjugated linoleic acid isomers in cultures of ruminal microorganisms after dosing with 1-(13)C-linoleic acid.
Journal of microbiology (Seoul, Korea), , Volume: 49, Issue:4
2011
Chronic and acute effects of walnuts on antioxidant capacity and nutritional status in humans: a randomized, cross-over pilot study.
Nutrition journal, , May-12, Volume: 9
2010
Dosage plan of a flurbiprofen injection product using inhibition of protein binding by lipid emulsion in rats.
The Journal of pharmacy and pharmacology, , Volume: 60, Issue:1
2008
Phytotoxic Eremophilanes from Ligularia macrophylla.
Journal of agricultural and food chemistry, , Dec-26, Volume: 55, Issue:26
2007
Whole body distribution of deuterated linoleic and alpha-linolenic acids and their metabolites in the rat.
Journal of lipid research, , Volume: 48, Issue:12
2007
Effect of conjugated linoleic acid type, treatment period, and dosage on differentiation of 3T3 cells.
Lipids, , Volume: 41, Issue:10
2006
An oxidized metabolite of linoleic acid increases intracellular calcium in rat adrenal glomerulosa cells.
American journal of physiology. Endocrinology and metabolism, , Volume: 291, Issue:6
2006
The production of 10-hydroxystearic and 10-ketostearic acids is an alternative route of oleic acid transformation by the ruminal microbiota in cattle.
The Journal of nutrition, , Volume: 136, Issue:4
2006
In vivo conversion of 18- and 20-C essential fatty acids in rats using the multiple simultaneous stable isotope method.
Journal of lipid research, , Volume: 46, Issue:9
2005
Simultaneous quantitative determination of deuterium- and carbon-13-labeled essential fatty acids in rat plasma.
Journal of lipid research, , Volume: 46, Issue:9
2005
Antioxidative activity and protective effect against ethanol-induced gastric mucosal damage of a potato protein hydrolysate.
Journal of nutritional science and vitaminology, , Volume: 49, Issue:6
2003
Linoleic acid induces interleukin-8 production by Crohn's human intestinal smooth muscle cells via arachidonic acid metabolites.
American journal of physiology. Gastrointestinal and liver physiology, , Volume: 286, Issue:4
2004
The effect of conjugated linoleic acid supplementation after weight loss on body weight regain, body composition, and resting metabolic rate in overweight subjects.
International journal of obesity and related metabolic disorders : journal of the International Association for the Study of Obesity, , Volume: 27, Issue:7
2003
Relative potencies of statins in reducing cholesterol synthesis and enhancing linoleic acid metabolism.
European journal of pharmacology, , Apr-25, Volume: 467, Issue:1-3
2003
The newly synthesized linoleic acid derivative FR236924 induces a long-lasting facilitation of hippocampal neurotransmission by targeting nicotinic acetylcholine receptors.
Bioorganic & medicinal chemistry letters, , Mar-24, Volume: 13, Issue:6
2003
Differential effects of linoleic Acid metabolites on cardiac sodium current.
The Journal of pharmacology and experimental therapeutics, , Volume: 303, Issue:1
2002
Dietary conjugated linolenic acid inhibits azoxymethane-induced colonic aberrant crypt foci in rats.
Japanese journal of cancer research : Gann, , Volume: 93, Issue:2
2002
Conjugated linoleic acid reduces body fat in healthy exercising humans.
The Journal of international medical research, , Volume: 29, Issue:5
Application of new methods and analytical approaches to research on polyunsaturated fatty acid homeostasis.
Lipids, , Volume: 36, Issue:9
2001
Who's afraid of n-6 polyunsaturated fatty acids? Methodological considerations for assessing whether they are harmful.
Nutrition, metabolism, and cardiovascular diseases : NMCD, , Volume: 11, Issue:3
2001
Effect of forage:concentrate ratio on ruminal digestion and duodenal flow of fatty acids in ewes.
Journal of animal science, , Volume: 79, Issue:8
2001
1-14C-linoleic acid distribution in various tissue lipids of guinea pigs following an oral dose.
Lipids, , Volume: 36, Issue:3
2001
Dietary fat intake, supplements, and weight loss.
Canadian journal of applied physiology = Revue canadienne de physiologie appliquee, , Volume: 25, Issue:6
2000
Conjugated linoleic acid reduces body fat mass in overweight and obese humans.
The Journal of nutrition, , Volume: 130, Issue:12
2000
Characterization of RCI-1, a chloroplastic rice lipoxygenase whose synthesis is induced by chemical plant resistance activators.
European journal of biochemistry, , Volume: 267, Issue:19
2000
Enhanced enteral bioavailability of vancomycin using water-in-oil-in-water multiple emulsion incorporating highly purified unsaturated fatty acid.
Journal of pharmaceutical sciences, , Volume: 89, Issue:10
2000
Conjugated linoleic acid and disease prevention: a review of current knowledge.
Journal of the American College of Nutrition, , Volume: 19, Issue:2 Suppl
2000
Dietary trans fatty acids affect the essential fatty-acid concentration of rat milk.
The Journal of nutrition, , Volume: 130, Issue:4
2000
Effects of capsaicin on biliary free fatty acids in rats.
International journal for vitamin and nutrition research. Internationale Zeitschrift fur Vitamin- und Ernahrungsforschung. Journal international de vitaminologie et de nutrition, , Volume: 70, Issue:1
2000
Comparison of bolus versus fractionated oral applications of [13C]-linoleic acid in humans.
European journal of clinical investigation, , Volume: 29, Issue:7
1999
Decrease in linoleic acid metabolites as a potential mechanism in cancer risk reduction by conjugated linoleic acid.
Carcinogenesis, , Volume: 20, Issue:6
1999
An increase in vitamin A status by the feeding of conjugated linoleic acid.
Nutrition and cancer, , Volume: 33, Issue:1
1999
Dietary hydroperoxides of linoleic acid decompose to aldehydes in stomach before being absorbed into the body.
Biochimica et biophysica acta, , Aug-28, Volume: 1393, Issue:2-3
1998
Catabolic fate of dietary trilinoleoylglycerol hydroperoxides in rat gastrointestines.
Biochimica et biophysica acta, , Aug-28, Volume: 1393, Issue:2-3
1998
Effect of dietary arachidonic acid on metabolism of deuterated linoleic acid by adult male subjects.
Lipids, , Volume: 33, Issue:5
1998
Modulation of adjuvant-induced arthritis by dietary arachidonic acid in essential fatty acid-deficient rats.
Lipids, , Volume: 32, Issue:9
1997
Linoleate, alpha-linolenate, and docosahexaenoate recycling into saturated and monounsaturated fatty acids is a major pathway in pregnant or lactating adults and fetal or infant rhesus monkeys.
Journal of lipid research, , Volume: 37, Issue:12
1996
Essential fatty acid uptake and metabolism in the developing rodent brain.
Lipids, , Volume: 31 Suppl
1996
Effects of two dietary fat levels and four dietary linoleic acid levels on mammary tumor development in Balb/c-MMTV mice under ad libitum feeding conditions.
Nutrition and cancer, , Volume: 25, Issue:2
1996
Risk factors for Barrett's oesophagus: a life history approach to behavioural assessment in the distant past.
European journal of cancer prevention : the official journal of the European Cancer Prevention Organisation (ECP), , Volume: 4, Issue:6
1995
Effects of linoleate-enriched and oleate-enriched diets in combination with alpha-tocopherol on the susceptibility of LDL and LDL subfractions to oxidative modification in humans.
Arteriosclerosis and thrombosis : a journal of vascular biology, , Volume: 14, Issue:4
1994
[Platelet aggregation and platelet and plasma fatty acid levels in the child with migraine. Apropos of 40 case reports].
Pediatrie, , Volume: 38, Issue:8
1983
Linoleic acid and arachidonic acid metabolism in human peripheral blood leucocytes: comparison with the rat.
The British journal of nutrition, , Volume: 51, Issue:2
1984
Promotion of 7,12-dimethylbenz[a]anthracene-induced mammary tumorigenesis by high dietary fat in the rat: possible role of intercellular communication.
Journal of the National Cancer Institute, , Volume: 72, Issue:3
1984
Modifications of cellular lipids induce insulin resistance in cultured hepatoma cells.
Biochimica et biophysica acta, , May-18, Volume: 928, Issue:3
1987
Fat and endocrine-responsive cancer in animals.
Preventive medicine, , Volume: 16, Issue:4
1987
[Effects of equal amounts of linoleic acid in orally administered, polyunsaturated phospholipids or in safflower oil on blood lipoproteins].
Klinische Wochenschrift, , Oct-15, Volume: 65, Issue:20
1987
Inhibition of growth and linoleate-enhanced metastasis of a transplantable mouse mammary tumor by indomethacin.
Cancer letters, , Dec-01, Volume: 43, Issue:1-2
1988
Effect of varying concentrations of linoleic acid on alpha-adrenoceptor responses in spontaneously hypertensive rats.
Prostaglandins, leukotrienes, and essential fatty acids, , Volume: 33, Issue:2
1988
The effect of donor-specific blood transfusion, cyclosporine, and dietary prostaglandin precursors on rat cardiac allograft survival. II. Effectiveness of a 24-hour induction period with DST and CsA in inducing long-term graft survival.
Transplantation, , Volume: 47, Issue:1
1989
Effects of dietary pantethine levels on drug-metabolizing system in the liver of rats orally administered varying amounts of autoxidized linoleate.
Journal of nutritional science and vitaminology, , Volume: 35, Issue:4
1989
Dietary lipid modulation of myocardial beta-adrenergic mechanisms, Ca2+-dependent automaticity, and arrhythmogenesis in the marmoset.
Journal of cardiovascular pharmacology, , Volume: 10, Issue:3
1987
Multihormonal regulation of the progesterone receptor in MCF-7 human breast cancer cells: interrelationships among insulin/insulin-like growth factor-I, serum, and estrogen.
Endocrinology, , Volume: 126, Issue:2
1990
Effects of dietary pantethine levels on contents of fatty acids and thiobarbituric acid reactive substances in the liver of rats orally administered varying amounts of autoxidized linoleate.
Journal of nutritional science and vitaminology, , Volume: 37, Issue:1
1991
Characterization of the insulinotropic potency of polyunsaturated fatty acids.
Endocrinology, , Volume: 130, Issue:2
1992
Hydrogenation alternatives: effects of trans fatty acids and stearic acid versus linoleic acid on serum lipids and lipoproteins in humans.
Journal of lipid research, , Volume: 33, Issue:3
1992
Differential effects of dietary linoleic acid on mouse skin-tumor promotion and mammary carcinogenesis.
Cancer research, , Apr-01, Volume: 52, Issue:7 Suppl
1992

Interactions (7)

ArticleYear
Metabolomics Combined with Network Pharmacology-Based Strategy to Reveal the Underlying Mechanism of Zhenhuang Submicron Emulsion in Treating Oropharyngeal Mucositis Complications of Radiation Therapy for Head and Neck Cancer.
Drug design, development and therapy, , Volume: 16
2022
Preparation of High-Purity Trilinolein and Triolein by Enzymatic Esterification Reaction Combined with Column Chromatography.
Journal of oleo science, , Feb-01, Volume: 68, Issue:2
2019
Additional benefit in CVD risk indices derived from the consumption of fortified milk when combined with a lifestyle intervention.
Public health nutrition, , Volume: 17, Issue:2
2014
Fish oil in combination with high or low intakes of linoleic acid lowers plasma triacylglycerols but does not affect other cardiovascular risk markers in healthy men.
The Journal of nutrition, , Volume: 138, Issue:6
2008
Conjugated linoleic acid in combination with supplemental dietary fat alters pork fat quality.
The Journal of nutrition, , Volume: 132, Issue:10
2002
Therapeutic effect of topical application of linoleic acid and lincomycin in combination with betamethasone valerate in melasma patients.
Journal of Korean medical science, , Volume: 17, Issue:4
2002
Antitumor activity of D-mannosamine in vitro: cytotoxic effect produced by mannosamine in combination with free fatty acids on human leukemia T-cell lines.
Japanese journal of clinical oncology, , Volume: 15, Issue:3
1985