Compounds > acetonitrile
Page last updated: 2024-09-20

acetonitrile

Description

acetonitrile: RN given refers to unlabeled cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID6342
CHEMBL ID45211
CHEBI ID38472
MeSH IDM0100520

Synonyms (155)

Synonym
acetnitrile
wln: nc1
cyanomethane
methane, cyano-
nsc-7593
cyanure de methyl
75-05-8
ethanenitrile
methyl cyanide
acetonitril (german, dutch)
acetonitrile
ethyl nitrile
methanecarbonitrile
usaf ek-488
nsc7593
cc.equiv.n
inchi=1/c2h3n/c1-2-3/h1h
CCN ,
NCGC00091552-01
C1151
einecs 200-835-2
hsdb 42
ccris 1628
methylkyanid [czech]
rcra waste number u003
nci-c60822
un1648
cyanure de methyl [french]
ai3-00327
acetonitril [german, dutch]
ethanonitrile
rcra waste no. u003
nsc 7593
acetonitrile, >=99.5%, acs reagent
acetonitrile, aldrasorb(tm), 99.8%
ncme
mecn
ch3-c#n
CHEBI:38472 ,
acetonitrile, anhydrous, 99.8%
A0793
A0060
A0293
CHEMBL45211
AKOS000269067
BMSE000896
acetonitrile [un1648] [flammable liquid]
methylkyanid
acetonitril
BMSE000826
dtxsid7020009 ,
dtxcid909
NCGC00260030-01
cas-75-05-8
tox21_202481
ch3cn
STL283937
z072sb282n ,
ec 200-835-2
unii-z072sb282n
FT-0621808
FT-0621807
acetonitrile [mi]
acetonitrile [usp-rs]
acetonitrile [mart.]
acetonitrile [hsdb]
acetonitrile [ii]
acetonitrile-1-13c
h3ccn
actonitrile
acetonitriie
acteonitril
methylcyanide
acetonitile
acetonitnle
acteonitrile
aceto-nitrile
ace-tonitrile
acetonitrile-
na 1648
un 1648
acetonitrile, anhydrous
acetonitrile, far uv/gradient grade
mfcd00001878
acetonitrile, hplc gradient grade
acetonitrile, environmental grade
acetonitrile, spectrophotometric grade
acetonitrile (for hplc) isocratic grade
acetonitrile acs
acetonitrile uv/hplc acs grade
acetonitrile hplc grade
acetonitrile, electronic grade, 99.999% trace metals basis
acetonitrile, for preparative hplc, >=99.8% (gc)
acetonitrile, >=99.5%
acetonitrile, supergradient hplc grade (far uv)
acetonitrile, hplc grade (far uv)
acetonitrile, for protein sequence analysis, >=99.8% (gc)
acetonitrile with 0.1% ammonium acetate, tested for uhplc-ms
acetonitrile, jis special grade, >=99.5%
alcohol determination - acetonitrile, united states pharmacopeia (usp) reference standard
acetonitrile, hplc grade, >=99.93%
acetonitrile, analytical standard
acetonitrile, for synthesis of dna, >=99.9% (gc)
acetonitrile, spectrophotometric grade, >=99.5%
acetonitrile, biotech. grade, >=99.93%
acetonitrile, purum, >=99.0% (gc)
residual solvent class 2 - acetonitrile, united states pharmacopeia (usp) reference standard
acetonitrile, puriss. p.a., acs reagent, reag. ph. eur., >=99.5% (gc)
acetonitrile, >=99.8%, for hplc
acetonitrile, for hplc-gc, >=99.8% (gc)
acetonitrile, saj first grade, >=99.0%
acetonitrile, for hplc, for uv, >=99.9% (gc)
acetonitrile, reagentplus(r), 99%
acetonitrile, hplc plus, >=99.9%
acetonitrile, for hplc, gradient grade, >=99.9% (gc)
acetonitrile, acs reagent, >=99.5%
acetonitrile, puriss. p.a., acs reagent, >=99.5% (gc)
acetonitrile, for hplc, gradient grade, >=99.9%
acetonitrile, purification grade, 99.8%
acetonitrile, >=99.5% (gc)
acetonitrile, for chromatography
acetonitrile, for dna synthesis
acetonitrile, preparateur, >=99.9% (gc), customized plastic drum
acetonitrile, preparateur, >=99.9% (gc), one-time steel-plastic (sp) drum
acetonitrile, for hplc, >=99.9%
ultrapure acetonitrile, for dna synthesis
acetonitrile, for hplc, gradient grade, >=99.90% (gc)
acetonitrile, anhydrous, zero2(tm), 99.8%
acetonitrile, for uhplc, for mass spectrometry
acetonitrile, lcms grade
acetonitrile, puriss. p.a., acs reagent, 99.8%
acetonitrile, ar, >=99.5%
acetonitrile, vetec(tm) reagent grade, anhydrous, >=99.8%
acetonitrile lc-ms
acetonitrile, puriss., 95%
acetonitrile, p.a., acs reagent, 99.8%
acetonitrile, p.a., dry, 99.9%
acetonitrile, pharmaceutical secondary standard; certified reference material
residual solvent - acetonitrile, pharmaceutical secondary standard; certified reference material
acetonitrile with 0.1% ammonium acetate
J-008497
Q408047
148642-19-7
methylnitrile
acetonitrile for preparative hplc
acetonitrile with 0.1per cent ammonium acetate
STR02933
EN300-21632
acetonitrile 1000 microg/ml in methanol
acetonitrile with 0.1% trifluoroacetic acid, lc-ms grade
methyl cyanide (mecn)
acetonitrile cluster
acetonitrile (ii)
acetonitrile (mart.)
acetonitrile, hplc reagent

Research Excerpts

Overview

ExcerptReference
"Acetonitrile (ACN) is a solvent rapidly absorbed through lungs and intestinal tract, and is slowly metabolized to cyanide (CN) by enzymatic processes mediated by CYP2E1."( Borrasca-Fernandes, CF; Branco Pimenta, M; Bucaretchi, F; Costa, JL; De Capitani, EM; Lanaro, R; Linden, R; Mello Moreira, S; Nóbrega, HV; Prado, CC; Soubhia, PC, 2017)
"Haloacetonitriles (HANs) are a chemical class of drinking water disinfection byproducts (DBPs) that form from reactions between disinfectants and nitrogen-containing precursors, the latter more prevalent in water sources impacted by algae bloom and municipal wastewater effluent discharge. "( Komaki, Y; Mariñas, BJ; Plewa, MJ, 2014)
"Haloacetonitriles (HANs) are an important class of drinking water disinfection byproducts (DBPs) that are reactive and can undergo considerable transformation on time scales relevant to system distribution (i.e., from a few hours to a week or more). "( Reckhow, DA; Yu, Y, 2015)
"Acetonitrile stacking is an online concentration method that is distinctive due to its inclusion of a high proportion of organic solvent in sample matrices. "( Fan, Y; Feng, J; He, H; Hu, S; Liu, L; Liu, S; Shi, L; Sun, J, 2016)
"Haloacetonitriles (HANs) are a group of nitrogenous disinfection by-products (DBPs) commonly found in treated water with potential carcinogenic, cytotoxic, and genotoxic risks. "( Chen, B; Shi, W; Wang, L, 2017)
"Acetonitrile, which is a by-product of acrylonitrile synthesis, is the commonly used solvent in ion-pair reversed phase chromatography. "( Brettschneider, F; Günthner, T; Jankowski, J; Jankowski, V; Nierhaus, M; Salem, S; Schulz, A; Zidek, W, 2010)
"Acetonitrile was found to be a compatible solvent that can be used as a solubilizer without suppressing enzymatic activity."( Bergström, ET; Bruce, NC; Goodall, DM; Urban, PL, 2006)
"Acetonitrile is an organic solvent commonly used to increase the solubility of lipophilic substrates for in vitro studies. "( Rodrigues, AD; Shou, M; Tang, C, 2000)
"Acetonitrile is a high-polarity aprotic organic solvent used in DNA synthesizers, HPLC, and electrochemistry. "( Hemmi, A; Kaminuma, T; Morimoto, K; Saitoh, M; Yamamoto, M, 1992)
"Acetonitrile is a high-polarity organic solvent widely used in various chemical industries and laboratories. "( Hashimoto, K, 1991)

Effects

ExcerptReference
"Acetonitrile solvent has been added to the working samples as a sensitivity enhancement agent."( Arbab-Zavar, MH; Ashraf, N; Hashemniaye-Torshizi, R, 2014)

Actions

ExcerptReference
"Acetonitrile did not increase the incidence of MNPCE in either bone marrow or peripheral blood in male mice or in peripheral blood in females."( Elliott, BM; Fox, V; Jones, E; Moore, NP, 2001)

Treatment

ExcerptReference
"Acetonitrile treatment clearly released many carrier-bound molecular species and was superior to ultrafiltration alone for serum proteomic analysis."( Esplin, MS; Graves, SW; Lewis, NE; Merrell, K; Southwick, K; Thulin, CD, 2004)
"The acetonitrile treated sample exhibited the most defined XRD peaks, and no crystalline phase could be observed by XRD of the 0.1 M formamide solution treated sample."( Costanzo, PM; Laszlo, P, 1988)
"The treatment of acetonitrile to less than 0.1 mg l(-1) was achieved with a dilution factor of only 3.4."( Chang, LY; Komada, T; Stringfellow, WT, 2006)

Roles (3)

RoleDescription
polar aprotic solventA solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
EC 3.5.1.4 (amidase) inhibitorAn EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).
NMR chemical shift reference compoundAny compound that produces a peak used to reference an NMR spectrum during data pre-processing.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (2)

ClassDescription
aliphatic nitrileAny nitrile derived from an aliphatic compound.
volatile organic compoundAny organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (3)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
pregnane X receptorRattus norvegicus (Norway rat)Potency89.12510.025127.9203501.1870AID651751
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency0.00170.003041.611522,387.1992AID1159552
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency37.57800.000627.21521,122.0200AID651741
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (5)

Assay IDTitleYearJournalArticle
AID346025Binding affinity to beta cyclodextrin2009Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2
Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.
AID343684Alkane-water partition coefficient, log P of the compound2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Toward prediction of alkane/water partition coefficients.
AID343683Octanol-water partition coefficient, log P of the compound2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Toward prediction of alkane/water partition coefficients.
AID23443Partition coefficient (logP)1985Journal of medicinal chemistry, Mar, Volume: 28, Issue:3
Use of physicochemical parameters in distance geometry and related three-dimensional quantitative structure-activity relationships: a demonstration using Escherichia coli dihydrofolate reductase inhibitors.
AID101345Toxicity determined using Golden Orfe Fish Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (3,513)

TimeframeStudies, This Drug (%)All Drugs %
pre-199090 (2.56)18.7374
1990's369 (10.50)18.2507
2000's1114 (31.71)29.6817
2010's1771 (50.41)24.3611
2020's169 (4.81)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials15 (0.40%)5.53%
Reviews21 (0.56%)6.00%
Case Studies17 (0.46%)4.05%
Observational0 (0.00%)0.25%
Other3,671 (98.58%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
ethylene dichloride[no description available]medium50chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
1,2,4-trichlorobenzene[no description available]medium20trichlorobenzene
acetone[no description available]high1300ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
benzene[no description available]medium340aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
benzyl alcohol[no description available]medium50benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
1-butanol[no description available]medium190alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
2-cresol[no description available]medium10cresolhuman xenobiotic metabolite
3-cresol[no description available]medium30cresolhuman xenobiotic metabolite
methanol[no description available]medium6190alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
methanol[no description available]medium6193alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
naphthalene[no description available]medium110naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
1-octanol[no description available]medium120octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
4-nitrophenol[no description available]medium404-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
phenanthrene[no description available]medium40ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
phenol[no description available]medium130phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
1-propanol[no description available]medium320propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
pyridine[no description available]medium180azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines		environmental contaminant;
NMR chemical shift reference compound
toluene[no description available]medium420methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
ether[no description available]medium140ether;
volatile organic compound		inhalation anaesthetic;
non-polar solvent;
refrigerant
2-propanol[no description available]medium650secondary alcohol;
secondary fatty alcohol		protic solvent
carbon tetrachloride[no description available]medium160chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
aniline[no description available]medium110anilines;
primary arylamine
chloroform[no description available]medium710chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
dimethylformamide[no description available]high420formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
n-pentanol[no description available]medium40pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
1,1,1-trichloroethane[no description available]medium30chloroethanespolar solvent
methyl bromide[no description available]medium30bromohydrocarbon;
bromomethanes;
methyl halides		algal metabolite;
fumigant insecticide;
marine metabolite
ethyl chloride[no description available]medium30chloroethanesantipruritic drug;
inhalation anaesthetic;
local anaesthetic
methylene chloride[no description available]high550chloromethanes;
volatile organic compound		carcinogenic agent;
polar aprotic solvent;
refrigerant
1,1-dichloroethane[no description available]medium20organochlorine compound
nitromethane[no description available]high90primary nitroalkane;
volatile organic compound		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent
tert-butyl alcohol[no description available]medium90tertiary alcoholhuman xenobiotic metabolite
tert-amyl alcohol[no description available]medium30aliphatic alcohol;
tertiary alcohol		protic solvent
isobutyl alcohol[no description available]medium30alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
propylene dichloride[no description available]medium10chloroalkane;
volatile organic compound
2-butanol[no description available]medium20secondary alcohol
methylethyl ketone[no description available]high50butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound		bacterial metabolite;
polar aprotic solvent
1,1,2-trichloroethane[no description available]medium20chloroethanes
trichloroethylene[no description available]medium40chloroethenesinhalation anaesthetic;
mouse metabolite
1,1,2,2-tetrachloroethane[no description available]medium20chloroethanes
1,2,3-trichlorobenzene[no description available]medium20trichlorobenzene
2-nitrotoluene[no description available]medium10mononitrotoluenecarcinogenic agent;
environmental contaminant
thymol[no description available]medium10monoterpenoid;
phenols		volatile oil component
quinoline[no description available]medium70azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
2-xylene[no description available]medium10xylene
2-dichlorobenzene[no description available]medium10dichlorobenzenehepatotoxic agent;
metabolite
1,2,4,5-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
diethyl ketone[no description available]medium10pentanoneanimal metabolite
cyclopentanol[no description available]medium20cyclopentanols
ethyl 2-methylpropanoate[no description available]medium10fatty acid ethyl esterplant metabolite
butylphen[no description available]medium30phenolsallergen
acetophenone[no description available]medium60acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
nitrobenzene[no description available]medium50nitroarene;
nitrobenzenes
anisole[no description available]medium70monomethoxybenzeneplant metabolite
ethyl propionate[no description available]medium10propanoate estermetabolite
ethyl butyrate[no description available]medium10butyrate esterplant metabolite
2,4-dimethylphenol[no description available]medium10aromatic fungicide;
phenols		disinfectant;
volatile oil component
methyl formate[no description available]high20formate ester;
methyl ester;
volatile organic compound		fumigant;
insecticide;
polar aprotic solvent;
refrigerant
2-pentanone[no description available]medium20methyl ketone;
pentanone		plant metabolite
methyl isobutyl ketone[no description available]medium10ketone
3-xylene[no description available]medium10xylene
1,3,5-trichlorobenzene[no description available]medium10trichlorobenzene
chlorobenzene[no description available]medium60monochlorobenzenessolvent
cyclohexanol[no description available]medium80cyclohexanols;
secondary alcohol		solvent
cyclohexanone[no description available]medium40cyclohexanoneshuman xenobiotic metabolite
propyl acetate[no description available]medium10acetate esterfragrance;
plant metabolite
pentane[no description available]medium40alkane;
volatile organic compound		non-polar solvent;
refrigerant
1-pentene[no description available]medium10
butyl chloride[no description available]medium30
ethyl formate[no description available]medium10ethyl ester;
formate ester		fumigant;
plant metabolite
tetrahydrofuran[no description available]high660cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
isobutyl acetate[no description available]medium10acetate esterSaccharomyces cerevisiae metabolite
2-octanone[no description available]medium10methyl ketonemetabolite
1-hexanol[no description available]medium20hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
heptanol[no description available]medium20heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
cyclopentanone[no description available]medium10cyclopentanonesMaillard reaction product
2-naphthol[no description available]medium80naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
ethyl acetate[no description available]high520acetate ester;
ethyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite
dibutyl ether[no description available]medium10
Ethyl pentanoate[no description available]medium10fatty acid ester
1,3-dichlorobenzene[no description available]medium10dichlorobenzene
pentachlorobenzene[no description available]medium10pentachlorobenzenespersistent organic pollutant
2-hexanol[no description available]medium20hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical
amyl acetate[no description available]medium10acetate estermetabolite
1,2,3,4-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
1,2,3,5-tetrachlorobenzene[no description available]medium10tetrachlorobenzene
butyl acetate[no description available]medium10acetate estermetabolite
monoisopropanolamine[no description available]medium10amino alcohol;
secondary alcohol		Escherichia coli metabolite
acetic acid[no description available]medium730monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
formic acid[no description available]medium1200monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
formic acid[no description available]medium1201monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
methane[no description available]medium350alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas
2-mercaptoacetate[no description available]medium10sulfur-containing carboxylic acid
urea[no description available]medium340isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
halothane[no description available]medium10haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
trimethoprim[no description available]medium40aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
dimethylnitrosamine[no description available]medium10nitrosaminegeroprotector;
mutagen
bromoacetate[no description available]medium10
ethylene[no description available]medium50alkene;
gas molecular entity		plant hormone;
refrigerant
acetylene[no description available]medium80alkyne;
gas molecular entity;
terminal acetylenic compound
methyl chloride[no description available]medium30chloromethanes;
methyl halides		marine metabolite;
mutagen;
refrigerant
methyl iodide[no description available]medium40iodomethanes;
methyl halides		fumigant insecticide
methylamine[no description available]medium30methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite
methylacetylene[no description available]medium10alkyne;
gas molecular entity;
terminal acetylenic compound
ethylamine[no description available]medium20primary aliphatic aminehuman metabolite
difluoromethane[no description available]medium10fluoromethanesrefrigerant
2-propylamine[no description available]medium30alkylamines;
primary aliphatic amine
1,1-difluoroethane[no description available]medium10
1,1-difluoroethylene[no description available]medium10olefinic compound;
organofluorine compound
dichlorofluoromethane[no description available]medium10
fluorocarbon 22[no description available]medium10hydrochlorofluorocarbon
trifluoroethanol[no description available]medium200fluoroalcohol
freon 114[no description available]medium10
perfluoroethane[no description available]medium10fluoroalkane;
fluorocarbon		refrigerant
n-methylacetamide[no description available]medium20acetamides;
monocarboxylic acid amide		metabolite
methyl acetate[no description available]high10acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent
nitroethane[no description available]medium30primary nitroalkane
benzenesulfonamide[no description available]medium10sulfonamide
3-nitrotoluene[no description available]medium10mononitrotoluene
3-dinitrobenzene[no description available]medium10dinitrobenzeneneurotoxin
methylphenylsulfide[no description available]medium10aryl sulfide;
benzenes
1-butene[no description available]medium10butene
propylamine[no description available]medium10alkylamines
acrylonitrile[no description available]high190aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
3-chloroaniline[no description available]medium10
bromobenzene[no description available]medium30bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
thiophenol[no description available]medium20aryl thiol
ethyl vinyl ether[no description available]medium10
pyrroles[no description available]medium80pyrrole;
secondary amine
2-ethoxyethanol[no description available]medium10glycol ether;
primary alcohol		protic solvent;
teratogenic agent
propylene[no description available]medium20alkene;
gas molecular entity		refrigerant;
xenobiotic
dimethyl ether[no description available]medium10ether
2,2,2-trichloroethanol[no description available]medium10chloroethanolmouse metabolite
cycloguanil[no description available]medium10triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
diethyl sulfide[no description available]medium10ethyl sulfide
2-fluoroethanol[no description available]medium10
fluorobenzenes[no description available]medium60monofluorobenzenesNMR chemical shift reference compound
propadiene[no description available]medium10allenes
dimethylacetylene[no description available]medium10
nitrosobenzene[no description available]medium10benzenes;
nitroso compound		xenobiotic metabolite
iodobenzene[no description available]medium20
fluoromethane[no description available]medium30fluorohydrocarbon;
fluoromethanes;
methyl halides		refrigerant
diisopropylnitrosamine[no description available]medium10
methylnitrosourea[no description available]medium30N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
methyl phenyl sulfoxide[no description available]medium20benzenes;
sulfoxide
2,5-dihydrofuran[no description available]medium10
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine[no description available]medium10
diaveridine[no description available]medium10aminopyrimidineantiparasitic agent;
drug allergen
tetrachloroethylene[no description available]medium30chlorocarbon;
chloroethenes		nephrotoxic agent
trichloroacetamide[no description available]medium10
trifluoroacetamide[no description available]medium10
5-iodouracil[no description available]medium10organoiodine compoundantimetabolite
2,4-diamino-5-benzylpyrimidine[no description available]medium10
carbodiimides[no description available]medium20carbodiimide
thiourea[no description available]medium80one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
n-ethylthiourea[no description available]medium10thioureas
5-nitroso-salicylate[no description available]medium10hydroxybenzoic acid
coumarin[no description available]medium40coumarinsfluorescent dye;
human metabolite;
plant metabolite
indole[no description available]medium30indole;
polycyclic heteroarene		Escherichia coli metabolite
amitriptyline[no description available]medium80carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
desipramine[no description available]medium20dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
imipramine[no description available]medium50dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
mirtazapine[no description available]medium40benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
pyrilamine[no description available]medium10aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
risperidone[no description available]medium201,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
quinoxalines[no description available]medium40mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
benzothiazole[no description available]medium20benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
benzonitrile[no description available]medium110benzenes;
nitrile
4-cyanopyridine[no description available]medium10
2-chloropyridine[no description available]medium10monochloropyridine
isoquinoline[no description available]medium10azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene
cinnoline[no description available]medium10azaarene;
cinnolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene
benzoxazoles[no description available]medium301,3-benzoxazoles;
mancude organic heterobicyclic parent
flavone[no description available]medium30flavonesmetabolite;
nematicide
ferrocin c[no description available]medium10
n,n-dimethylbenzamide[no description available]medium10
triphenylphosphine oxide[no description available]medium10phosphine oxideNMR chemical shift reference compound
diphenyl sulfoxide[no description available]medium10sulfoxide
4-acetylpyridine[no description available]medium10
1,4-dioxane[no description available]high370dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
anthranil[no description available]medium102,1-benzoxazoles;
mancude organic heterobicyclic parent
4-methoxybenzonitrile[no description available]medium10
2,6-difluoropyridine[no description available]medium10
1-benzylimidazole[no description available]medium20
6-chloroindole[no description available]medium10indoles
paliperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
l 663581[no description available]medium10
asenapine[no description available]medium105-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole
org 4428[no description available]medium10
4-hydroxybenzyl alcohol[no description available]medium20benzyl alcohols;
phenols		plant metabolite
4-hydroxybenzaldehyde[no description available]medium10hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
4-hydroxybenzoic acid[no description available]medium30monohydroxybenzoic acidalgal metabolite;
plant metabolite
ethylene glycol[no description available]medium130ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
acetaldehyde[no description available]medium100aldehydecarcinogenic 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
benzaldehyde[no description available]medium60benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzoic acid[no description available]medium70benzoic 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
dibenzofuran[no description available]medium10dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
hydroquinone[no description available]medium20benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
acetanilide[no description available]medium10acetamides;
anilide		analgesic
n,n-dimethylaniline[no description available]medium40dimethylaniline;
tertiary amine
phenylacetic acid[no description available]medium40benzenes;
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
acetohexamide[no description available]medium10acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
amobarbital[no description available]medium10barbiturates
barbital[no description available]medium10barbituratesdrug allergen
bendroflumethiazide[no description available]medium20benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzocaine[no description available]medium30benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
4-cresol[no description available]medium30cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
diazepam[no description available]medium501,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
dibenzothiophene[no description available]medium20dibenzothiophenes;
mancude organic heterotricyclic parent		keratolytic drug
fenbufen[no description available]medium104-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
fludiazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound;
organofluorine compound		anxiolytic drug
flufenamic acid[no description available]medium10aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flurbiprofen[no description available]medium50fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
furosemide[no description available]medium30chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
hexobarbital[no description available]medium20barbiturates
hydrochlorothiazide[no description available]medium40benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
ketoprofen[no description available]medium90benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
meclofenamic acid[no description available]medium10aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
medazepam[no description available]medium10organic molecular entity
mefenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
vitamin k 3[no description available]medium201,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
fenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		membrane transport modulator
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
4-chlorophenol[no description available]medium30monochlorophenol
pentobarbital[no description available]medium20barbituratesGABAA receptor agonist
phenazine[no description available]medium20azaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene
phenobarbital[no description available]medium30barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
sulfadiazine[no description available]medium10pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfadimethoxine[no description available]medium10aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfamerazine[no description available]medium20pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfamonomethoxine[no description available]medium10benzenes;
sulfonamide
sulfanilamide[no description available]medium10substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole[no description available]medium10primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine[no description available]medium20pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfisomidine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent
sulfisoxazole[no description available]medium10isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
hydrocortisone acetate[no description available]medium10cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate[no description available]medium10corticosteroid hormone
corticosterone[no description available]medium5011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
prednisolone[no description available]medium3011beta-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
spironolactone[no description available]medium203-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
prednisolone acetate[no description available]medium10corticosteroid hormone
cyclobarbital[no description available]medium10barbiturates
allobarbital[no description available]medium10barbiturates
paramethasone[no description available]medium10fluorinated steroid
phenylethyl alcohol[no description available]medium40benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-nitrobenzoic acid[no description available]medium20nitrobenzoic acid
fluocinolone acetonide[no description available]medium1011beta-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
4-hydroxypropiophenone[no description available]medium10acetophenones
triamcinolone acetonide[no description available]medium2011beta-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
p-tert-amylphenol[no description available]medium10alkylbenzene
dehydrocholic acid[no description available]medium1012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
carbazole[no description available]medium30carbazole
xanthenes[no description available]medium40xanthene
phenothiazine[no description available]medium20phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
thianthrene[no description available]medium10mancude organic heterotricyclic parent;
organosulfur heterocyclic compound;
thianthrenes
benzidine[no description available]medium10biphenyls;
substituted aniline		carcinogenic agent
methyl benzoate[no description available]medium20benzoate ester;
methyl ester		insect attractant;
metabolite
ethyl benzoate[no description available]medium10benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component
butylparaben[no description available]medium10organic molecular entity
benzothiophene[no description available]medium201-benzothiophenes;
benzothiophene
4-isopropylphenol[no description available]medium10phenolsflavouring agent
4-hydroxyacetophenone[no description available]medium20monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
4-chloronitrobenzene[no description available]medium10C-nitro compound
4-nitroaniline[no description available]medium20nitroanilinebacterial xenobiotic metabolite
ethylbenzene[no description available]medium40alkylbenzene
benzyl chloride[no description available]medium10benzyl chlorides
methylaniline[no description available]medium10methylaniline;
phenylalkylamine;
secondary amine
phenetole[no description available]medium10aromatic ether
1,4-dibromobenzene[no description available]medium10dibromobenzene
4-bromophenol[no description available]medium20bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
4-xylene[no description available]medium10xylene
isobutylmethylcarbinol[no description available]medium10
3-chlorophenol[no description available]medium10monochlorophenol
methyl cellosolve[no description available]medium10glycol etherprotic solvent;
solvent
diethylamine[no description available]medium100secondary aliphatic amine
1,4-butanediol[no description available]medium10butanediol;
glycol		neurotoxin;
prodrug;
protic solvent
1,5-pentanediol[no description available]medium10primary alcohol
mephobarbital[no description available]medium10barbituratesanticonvulsant
ethyl-p-hydroxybenzoate[no description available]medium10ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
2-methylbutanol[no description available]medium10alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
p-cresyl acetate[no description available]medium10benzoate ester;
phenols
3-hydroxyanisole[no description available]medium10monomethoxybenzene;
phenols
mequinol[no description available]medium10methoxybenzenes;
phenols		metabolite
phenanthridine[no description available]medium10azaarene;
mancude organic heterotricyclic parent;
phenanthridines;
polycyclic heteroarene
acridines[no description available]medium90acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
carbutamide[no description available]medium10benzenes;
sulfonamide
4-fluorophenol[no description available]medium10fluorophenol;
monofluorobenzenes
3-fluorophenol[no description available]medium10
betamethasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
3,3-dimethyl-2-butanol[no description available]medium10
chenodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
phloroglucinol dimethyl ether[no description available]medium10methoxybenzenes;
phenols
1,3-propanediol[no description available]medium20propane-1,3-diolsmetabolite;
protic solvent
phenylacetylene[no description available]medium20benzenes
4-iodophenol[no description available]medium20iodophenol
3-bromophenol[no description available]medium10
3,5-dichlorophenol[no description available]medium10dichlorophenol
3-isopropylphenol[no description available]medium10
3-ethylphenol[no description available]medium10phenols
4-Ethoxyphenol[no description available]medium10aromatic ether;
phenols
hexamethylene glycol[no description available]medium10diol;
primary alcohol
4-propylphenol[no description available]medium10alkylbenzene
4-nitrophenyl acetate[no description available]medium20C-nitro compound;
phenyl acetates
4-n-Butylphenol[no description available]medium10phenols
sulfamethomidine[no description available]medium10organic molecular entity
2-octanol[no description available]medium10octanol;
secondary alcohol		plant metabolite;
volatile oil component
hydrocortisone-17-butyrate[no description available]medium10butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
4-n-Pentylphenol[no description available]medium10phenols
4-ethylphenol[no description available]medium20phenolsfungal xenobiotic metabolite
isopentyl alcohol[no description available]medium10alkyl alcohol;
primary alcohol;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite
triamcinolone[no description available]medium1011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
ursodeoxycholic acid[no description available]medium20bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
progabide[no description available]medium10diarylmethane
1-n-butylimidazole[no description available]medium20
phenoxazine[no description available]medium10phenoxazineferroptosis inhibitor;
radical scavenger
cresatin[no description available]medium10benzoate ester;
phenols
3-propylphenol[no description available]medium10
cyclobutanol[no description available]medium10
triflumizol[no description available]medium10
1-adamantaneacetic acid[no description available]medium10
cholic acid[no description available]medium11012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
cortisone[no description available]medium4011-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
griseofulvin[no description available]medium301-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
3-coumaric acid[no description available]medium103-coumaric acid
trans-4-coumaric acid[no description available]medium204-coumaric acidfood component;
mouse metabolite;
plant metabolite
cinnarizine[no description available]medium20diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
thiopental[no description available]medium20barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
dinoprostone[no description available]medium10prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
epoprostenol[no description available]medium10prostaglandins Imouse metabolite
dodecylphosphocholine[no description available]medium30phosphocholinesdetergent
phosphorylcholine[no description available]medium60phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite
carbendazim[no description available]medium60benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
dimethomorph[no description available]medium10aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide
carbamates[no description available]medium320amino-acid anion
anthracene[no description available]medium90acene;
anthracenes;
ortho-fused tricyclic hydrocarbon
1-aminoanthracene[no description available]medium10anthracenamine
potassium sulfate[no description available]medium30inorganic potassium salt;
potassium salt
quinine[no description available]medium80cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
3,4-diaminocyclobut-3-ene-1,2-dione[no description available]medium20
phenyl acetate[no description available]medium1771benzenes;
phenyl acetates
favipiravir[no description available]medium10hydroxypyrazine;
organofluorine compound;
primary carboxamide		anticoronaviral agent;
antiviral drug;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
glycosides[no description available]medium190
galactose[no description available]medium40
tetracycline[no description available]medium40
phthalocyanine[no description available]medium20phthalocyanines;
tetrapyrrole fundamental parent
ruthenium[no description available]medium180iron group element atom;
platinum group metal atom
disiloxane[no description available]medium10siloxane
silanediol[no description available]medium10silicon hydroxide
baicalin[no description available]medium30dihydroxyflavone;
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
phosphoric acid[no description available]medium450phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
methotrexate[no description available]medium60dicarboxylic 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
chloramine-t[no description available]medium10organic sodium saltallergen;
antifouling biocide;
disinfectant
peoniflorin[no description available]medium30
triethylamine[no description available]medium411tertiary amine
moxifloxacin[no description available]medium20aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
cereulide[no description available]medium10
nitroxyl[no description available]medium10nitrogen oxoacid
sodium hydroxide[no description available]medium191alkali metal hydroxide
norpseudoephedrine[no description available]medium10amphetamines;
phenethylamine alkaloid		central nervous system stimulant;
plant metabolite;
psychotropic drug
monomethylpropion[no description available]medium10aromatic ketone;
secondary amino compound
triazoles[no description available]medium2701,2,3-triazole
azides[no description available]medium80pseudohalide anionmitochondrial respiratory-chain inhibitor
aflatoxin b1[no description available]medium130aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
melamine[no description available]medium60triamino-1,3,5-triazinexenobiotic metabolite
palladium[no description available]medium160metal allergen;
nickel group element atom;
platinum group metal atom
n-benzyl-n,n-dimethylamine[no description available]medium10
dimethyl sulfoxide[no description available]high1170sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
curcumin[no description available]medium60aromatic 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
itaconic acid[no description available]medium20dicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound		fungal metabolite;
human metabolite
imatinib mesylate[no description available]medium10methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
cellulose[no description available]medium230glycoside
silicon[no description available]medium40carbon group element atom;
metalloid atom;
nonmetal atom
stearylamine[no description available]medium30primary aliphatic aminefilm-forming compound
chlorthalidone[no description available]medium20isoindoles;
monochlorobenzenes;
sulfonamide
oxadiazoles[no description available]medium60
tak 491[no description available]medium101,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
ammonium acetate[no description available]medium841acetate salt;
ammonium salt		buffer;
food acidity regulator
strychnine[no description available]medium30monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
kainic acid[no description available]medium10dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
nodularin[no description available]medium10ether
domoic acid[no description available]medium10L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
okadaic acid[no description available]medium20ketal
microcystin rr[no description available]medium10microcystin;
organic molecular entity		bacterial metabolite;
environmental contaminant;
xenobiotic
cyanoginosin lr[no description available]medium10microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
1-hexyl-3-methylimidazolium[no description available]medium201-alkyl-3-methylimidazolium
gallic acid[no description available]medium50trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
glucosamine[no description available]medium70D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
linezolid[no description available]medium40acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
cytochrome c-t[no description available]medium100
iridium[no description available]medium40cobalt group element atom;
platinum group metal atom
histidine[no description available]medium60amino 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
1-phenyl-2-(1-pyrrolidinyl)-1-pentanone[no description available]medium10
fipronil sulfone[no description available]medium10(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
pyrazoles;
sulfone		marine xenobiotic metabolite
fipronil[no description available]medium30(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
ozone[no description available]medium70elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer
deoxynivalenol[no description available]medium50cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin
1,2,3,4-tetrahydroisoquinoline[no description available]medium20isoquinolines
glycerol[no description available]medium110alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
2,2-di(4-methacryloxyphenyl)propane[no description available]medium20bisphenol;
enoate ester		metabolite
sulfur[no description available]medium170chalcogen;
nonmetal atom		macronutrient
trifluoroacetic acid[no description available]medium680fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
tamsulosin[no description available]medium205-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
cysteine[no description available]medium110cysteiniumfundamental metabolite
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
1-(9-fluorenyl)methyl chloroformate[no description available]medium20
glycine[no description available]medium100alpha-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
phosphinothricin[no description available]medium10organic anion
betadex[no description available]medium380cyclodextrin
oxytocin[no description available]medium20heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
platinum[no description available]medium110elemental platinum;
nickel group element atom;
platinum group metal atom
methylmethacrylate[no description available]medium10enoate ester;
methyl ester		allergen;
polymerisation monomer
alkenes[no description available]medium200
choline[no description available]medium70cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
palmitic acid[no description available]medium40long-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
tryptophan[no description available]medium210erythrose 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
simendan[no description available]medium10
lysine[no description available]medium120aspartate 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
ammonium bicarbonate[no description available]medium30organooxygen compound
hydrogen carbonate[no description available]medium60carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2,4-dichlorophenoxyacetic acid[no description available]medium20chlorophenoxyacetic acid;
dichlorobenzene		agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin
2-methylfuran[no description available]medium10furans;
volatile organic compound		flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite
2,5-dimethylfuran[no description available]medium20furansantifungal agent;
bacterial metabolite;
fuel;
fumigant;
human urinary metabolite;
Maillard reaction product;
plant metabolite
nicotine[no description available]medium303-(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
formaldehyde[no description available]medium100aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
ciguatoxins[no description available]medium10ciguatoxinmetabolite
ramosetron[no description available]medium10indoles
carbene[no description available]medium40carbene;
methanediyl
cocaine[no description available]medium70benzoate 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
18-crown-6[no description available]medium70crown ether;
saturated organic heteromonocyclic parent		phase-transfer catalyst
lenvatinib[no description available]medium10aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
fg-4592[no description available]medium10aromatic ether;
isoquinolines;
N-acylglycine		EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
gsk1278863[no description available]medium10
indoxacarb[no description available]medium20methyl ester;
organochlorine insecticide		voltage-gated sodium channel blocker
n-acetylneuraminic acid[no description available]medium10N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite
titanium[no description available]medium240titanium group element atom
titanium dioxide[no description available]medium210titanium oxidesfood colouring
sodium bicarbonate[no description available]medium50one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
paclitaxel[no description available]medium110taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
penconazole[no description available]medium10dichlorobenzene;
triazoles
fisetin[no description available]medium103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
3-hydroxyflavone[no description available]medium90flavonols;
monohydroxyflavone
trimethoprim, sulfamethoxazole drug combination[no description available]medium21
sulfamethoxazole[no description available]medium30isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
alpha-chymotrypsin[no description available]medium200
2-methylpentane[no description available]medium680alkane
imidazole[no description available]medium50imidazole
isoxazoles[no description available]medium40isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
potassium phosphate[no description available]medium232inorganic phosphate salt;
inorganic potassium salt
citrulline[no description available]medium10amino 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
acrylamide[no description available]medium80acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
propranolol[no description available]medium100naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
n-propylbenzene[no description available]medium30alkylbenzene
octane[no description available]medium80alkanexenobiotic
chlorpyrifos[no description available]medium20chloropyridine;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
thiophenes[no description available]medium140mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
bisphenol a[no description available]medium70bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
bisphenol f diglycidyl ether[no description available]medium10aromatic ether;
diarylmethane;
epoxide
chondroitin sulfates[no description available]medium10
amikacin[no description available]medium10alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
ammonium hydroxide[no description available]medium100inorganic hydroxy compoundfood acidity regulator
zearalenone[no description available]medium80macrolide;
resorcinols		fungal metabolite;
mycoestrogen
ochratoxin a[no description available]medium110isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
chlormequat[no description available]medium10quaternary ammonium ionplant growth retardant
tebuconazole[no description available]medium20monochlorobenzenes;
tertiary alcohol;
triazoles
uracil[no description available]medium190pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
artemether[no description available]medium30artemisinin derivative;
cyclic acetal;
organic peroxide;
semisynthetic derivative;
sesquiterpenoid		antimalarial
lumefantrine[no description available]medium10fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial
n-hexane[no description available]medium360alkane;
volatile organic compound		neurotoxin;
non-polar solvent
warfarin[no description available]medium310benzenes;
hydroxycoumarin;
methyl ketone
biphenylacetylene[no description available]medium10arylacetylene;
benzenes		fluorochrome
n,n-dimethylarginine[no description available]medium10dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor
arginine[no description available]medium70arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
symmetric dimethylarginine[no description available]medium10amino acid zwitterion;
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor
n(g),n(g')-dimethyl-l-arginine[no description available]medium10alpha-amino acid
coronene[no description available]medium10ortho- and peri-fused polycyclic arene
nickel[no description available]medium140metal allergen;
nickel group element atom		epitope;
micronutrient
dimethylacetamide[no description available]medium70acetamides;
monocarboxylic acid amide		human metabolite
2-nitrobenzaldehyde[no description available]medium10benzaldehydes;
C-nitro compound
rebaudioside a[no description available]medium10beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid		sweetening agent
glucose, (beta-d)-isomer[no description available]medium220D-glucopyranoseepitope;
mouse metabolite
stevioside[no description available]medium10beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent
carbostyril[no description available]medium120monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite
anthranilamide[no description available]medium10substituted aniline
anthranilic acid[no description available]medium10aminobenzoic acidhuman metabolite;
mouse metabolite
ammonium hydroxide[no description available]medium260azane;
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
4-aminobenzoic acid[no description available]medium10aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
9-carboxymethoxymethylguanine[no description available]medium10oxopurine
guanine[no description available]medium602-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
acetamide[no description available]medium60acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
adenosine monophosphate[no description available]medium20adenosine 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
alanine[no description available]medium60alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
s 8932[no description available]medium10aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug
niacinamide[no description available]medium60pyridine 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
uric acid[no description available]medium60uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
metformin[no description available]medium60guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
haloperidol[no description available]medium70aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
malondialdehyde[no description available]medium40dialdehydebiomarker
alternariol[no description available]medium20benzochromenone;
phenols		EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin
sodium dodecyl sulfate[no description available]medium540organic sodium saltdetergent;
protein denaturant
mobic[no description available]medium201,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
thiazoles[no description available]medium2001,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
procainamide[no description available]medium20benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
deuterium[no description available]medium170dihydrogen
virginiamycin[no description available]medium20
erythromycin[no description available]medium60cyclic ketone;
erythromycin
streptogramin a[no description available]medium101,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite
penicillin g[no description available]medium40penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
virginiamycin factor s1[no description available]medium10cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite
2-thiocytosine[no description available]medium10
cytosine[no description available]medium70aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
sodium thiosulfate[no description available]medium60inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
thiosulfates[no description available]medium80divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite
leucylleucine[no description available]medium10peptide
muramidase[no description available]medium170
selenium[no description available]medium20chalcogen;
nonmetal atom		micronutrient
chlorite[no description available]medium10chlorine oxoanion;
monovalent inorganic anion
sarcosine[no description available]medium10N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines		Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
chlorine[no description available]medium170halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
gamma-valerolactone[no description available]medium10butan-4-olideflavouring agent;
human xenobiotic metabolite
homocysteine[no description available]medium20amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite
methyl tert-butyl ether[no description available]medium130etherfuel additive;
metabolite;
non-polar solvent
dansyl chloride[no description available]medium20aminonaphthalene;
sulfonic acid derivative
tyramine[no description available]medium30monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
histamine[no description available]medium40aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
trichloroacetic acid[no description available]medium121monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
spermidine[no description available]medium20polyazaalkane;
triamine		autophagy inducer;
fundamental metabolite;
geroprotector
putrescine[no description available]medium30alkane-alpha,omega-diamineantioxidant;
fundamental metabolite
cadaverine[no description available]medium20alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
florfenicol[no description available]medium20organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone		antimicrobial agent
thiamphenicol[no description available]medium50monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
chloramphenicol[no description available]medium90C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
1-butyl-3-methylimidazolium tetrafluoroborate[no description available]medium60
salicylaldehyde[no description available]medium40hydroxybenzaldehydenematicide;
plant metabolite
alpha-cyano-4-hydroxycinnamate[no description available]medium30
myelin basic protein[no description available]medium10
mbp-8298[no description available]medium10
isavuconazole[no description available]medium101,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug
itraconazole[no description available]medium40aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles		EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor
fluconazole[no description available]medium40conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
voriconazole[no description available]medium30conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
1-anilino-8-naphthalenesulfonate[no description available]medium180aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
4-nitrophenyl laurate[no description available]medium10
2-isobutyl-3-methoxypyrazine[no description available]medium10
pyrazines[no description available]medium60diazine;
pyrazines		Daphnia magna metabolite
chloranilic acid[no description available]medium40
2-aminopyrimidine[no description available]medium10aminopyrimidine
coumachlor[no description available]medium30hydroxycoumarin
moexipril[no description available]medium10peptide
benazepril[no description available]medium20benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
benazeprilat[no description available]medium20benzazepine;
dicarboxylic acid;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
azoxystrobin[no description available]medium60aryloxypyrimidine;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
methyl ester;
nitrile		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
quinone outside inhibitor;
xenobiotic
octadecylsilane[no description available]medium80
hydrogen[no description available]medium380elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
oligonucleotides[no description available]medium140
furaneol[no description available]medium10cyclic ketone;
enol;
furans		flavouring agent;
fragrance;
plant metabolite
zoxamide[no description available]medium10alpha-chloroketone;
benzamides;
dichlorobenzene
pyrethrins[no description available]medium100
fenvalerate[no description available]medium40aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
cypermethrin[no description available]medium30aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound		agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide
cyfluthrin[no description available]medium10aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester insecticide
formetanate[no description available]medium10carbamate esteracaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
perampanel[no description available]medium20bipyridines;
nitrile;
pyridone		AMPA receptor antagonist;
anticonvulsant
piperidines[no description available]medium120
alogliptin[no description available]medium10nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
magnesium sulfate[no description available]medium140magnesium salt;
metal sulfate;
organic magnesium salt		anaesthetic;
analgesic;
anti-arrhythmia drug;
anticonvulsant;
calcium channel blocker;
cardiovascular drug;
fertilizer;
tocolytic agent
1,7-phenanthroline[no description available]medium100phenanthroline
dodecyl sulfate[no description available]medium10alkyl sulfate
bradykinin[no description available]medium30oligopeptidehuman blood serum metabolite;
vasodilator agent
concanavalin a[no description available]medium10
rotenone[no description available]medium10organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
fluorescein-5-isothiocyanate[no description available]medium30fluorescein isothiocyanate
lactic acid[no description available]medium602-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
fentanyl[no description available]medium20anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
biguanides[no description available]medium20guanidines
fenspiride[no description available]medium10azaspiro compound
patulin[no description available]medium30furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
dextrothyroxine[no description available]medium70
doramectin[no description available]medium30macrolide
bms-650032[no description available]medium10oligopeptide
lipoamide[no description available]medium10dithiolanes;
monocarboxylic acid amide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
gamma-aminobutyric acid[no description available]medium70amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
glutamine[no description available]medium40amino 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
glutamic acid[no description available]medium30glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
venlafaxine hydrochloride[no description available]medium20hydrochloride
lesinurad[no description available]medium10aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
cyanoacetic acid[no description available]medium10monocarboxylic acid
silver[no description available]medium120copper group element atom;
elemental silver		Escherichia coli metabolite
piperidine[no description available]medium30azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
dufulin[no description available]medium10
l 743,872[no description available]medium10
catechin[no description available]medium120catechinantioxidant;
plant metabolite
taxifolin[no description available]medium20taxifolinmetabolite
quercetin[no description available]medium1007-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
chlorantranilipole[no description available]medium30monochlorobenzenes;
organobromine compound;
pyrazole insecticide;
pyrazoles;
pyridines;
secondary carboxamide		ryanodine receptor agonist
finasteride[no description available]medium203-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
rhodium[no description available]medium20cobalt group element atom
nad[no description available]medium90organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
arsenic[no description available]medium50metalloid atom;
pnictogen		micronutrient
pentaerythrityl triacrylate[no description available]medium70
1,1-diphenyl-2-picrylhydrazyl[no description available]medium51
benzofuran[no description available]medium101-benzofurans;
benzofuran
benzofurans[no description available]medium110
tyrosine[no description available]medium70amino 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
adenine[no description available]medium706-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenylalanine[no description available]medium100amino 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
xanthine[no description available]medium10xanthineSaccharomyces cerevisiae metabolite
uridine[no description available]medium20uridinesdrug metabolite;
fundamental metabolite;
human metabolite
metronidazole[no description available]medium40C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
beta-lactams[no description available]medium30beta-lactam antibiotic allergen;
beta-lactam
lauryl gallate[no description available]medium10gallate ester
morin[no description available]medium207-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
rutin[no description available]medium50disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
chrysin[no description available]medium107-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
potassium hydroxide[no description available]medium110alkali metal hydroxide
s 1743[no description available]medium10magnesium saltanti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
aripiprazole[no description available]medium10aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
opc-14857[no description available]medium10
epoxiconazole[no description available]medium10epoxide;
monochlorobenzenes;
monofluorobenzenes;
triazoles
hexaconazole[no description available]medium10dichlorobenzene;
tertiary alcohol;
triazoles		chelator
systhane[no description available]medium10monochlorobenzenes;
nitrile;
triazoles
paclobutrazol[no description available]medium10
diniconazole[no description available]medium10dichlorobenzene;
olefinic compound;
secondary alcohol;
triazoles
cumene[no description available]medium10alkylbenzene
ajoene[no description available]medium10sulfoxide
allicin[no description available]medium20botanical anti-fungal agent;
sulfoxide		antibacterial agent
linoleic acid[no description available]medium60octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
ar c155858[no description available]medium10
pyrimidine[no description available]medium60diazine;
pyrimidines		Daphnia magna metabolite
pyrimidinones[no description available]medium60
azd3965[no description available]medium10
oleanolic acid[no description available]medium20hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
3,3'-iminodipropionitrile[no description available]medium10
o-phthalaldehyde[no description available]medium110benzaldehydes;
dialdehyde		epitope
acetylcysteine[no description available]medium20acetylcysteine;
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
captopril[no description available]medium20alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
allyl alcohol[no description available]medium10primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
e-z cinnamic acid[no description available]medium30cinnamic acidplant metabolite
hydroxyethyl methacrylate[no description available]medium40enoate esterallergen;
polymerisation monomer
ethylene dimethacrylate[no description available]medium230enoate esterallergen;
cross-linking reagent;
polymerisation monomer
metalaxyl[no description available]medium30alanine derivative;
aromatic amide;
carboxamide;
ether;
methyl ester
amoxicillin[no description available]medium70penicillin allergen;
penicillin		antibacterial drug
p-aminoazobenzene[no description available]medium10
sudan iii[no description available]medium10azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
methacrylic acid[no description available]medium130alpha,beta-unsaturated monocarboxylic acid
carbonyl sulfide[no description available]medium10one-carbon compound;
organosulfur compound
amlodipine[no description available]medium50dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
cytisine[no description available]medium10alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
fluoroacetamide[no description available]medium102-fluoroacetamides
fluoroacetic acid[no description available]medium10haloacetic acid;
organofluorine compound		EC 4.2.1.3 (aconitate hydratase) inhibitor
gentian violet[no description available]medium50organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
5-methylcytidine[no description available]medium20methylcytidine
cytidine[no description available]medium30cytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
deoxycytidine[no description available]medium30pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cetyltrimethylammonium ion[no description available]medium60quaternary ammonium ion
tropisetron[no description available]medium10indolyl carboxylic acid
granisetron[no description available]medium20aromatic amide;
indazoles
ondansetron[no description available]medium31carbazoles
chloroacetonitrile[no description available]medium20nitrile
dibromoacetonitrile[no description available]medium10aliphatic nitrile
dichloroacetonitrile[no description available]medium10aliphatic nitrile
trichloroacetonitrile[no description available]medium10aliphatic nitrile;
organochlorine compound
luteolin-7-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
hyperoside[no description available]medium10beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite
luteolin[no description available]medium303'-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
kaempferol[no description available]medium307-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
acacetin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
chlorogenic acid[no description available]medium80cinnamate ester;
tannin		food component;
plant metabolite
guanosine tetraphosphate[no description available]medium10guanosine bisphosphateEscherichia coli metabolite;
mouse metabolite
5-phenylhydantoin, (+-)-isomer[no description available]medium10
phenytoin[no description available]medium50imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
fosphenytoin[no description available]medium10imidazolidine-2,4-dione
hydantoins[no description available]medium40imidazolidine-2,4-dione
ginsenosides[no description available]medium70
vicenin ii[no description available]medium10C-glycosyl compound;
trihydroxyflavone		metabolite
isoschaftoside[no description available]medium10C-glycosyl compound;
trihydroxyflavone		metabolite
apigenin[no description available]medium50trihydroxyflavoneantineoplastic agent;
metabolite
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
guaifenesin[no description available]medium30methoxybenzenes
salicylic acid[no description available]medium80monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
aspirin[no description available]medium80benzoic 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
styrene[no description available]medium40styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
kaurenoic acid[no description available]medium10
4-nitrophenyl butyrate[no description available]medium30butyrate ester;
C-nitro compound
quinic acid[no description available]medium10
isochlorogenic acid[no description available]medium10quinic acid
mercaptoethanol[no description available]medium40alkanethiol;
primary alcohol		geroprotector
2-aminoisobutyric acid[no description available]medium202,2-dialkylglycine zwitterion;
2,2-dialkylglycine
mdv 3100[no description available]medium10(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
stigmasterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol		plant metabolite
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
tetracyanoethylene[no description available]medium40
atenolol[no description available]medium40ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
reserpine[no description available]medium20alkaloid 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
quinidine[no description available]medium30cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
cimetidine[no description available]medium10aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
levofloxacin[no description available]medium209-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
atorvastatin[no description available]medium30aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
ammonium sulfate[no description available]medium80ammonium salt;
inorganic sulfate salt		fertilizer
carbaspirin calcium[no description available]medium10
valerophenone[no description available]medium10aromatic ketoneplant metabolite;
volatile oil component
4-methylimidazole[no description available]medium10imidazolescarcinogenic agent;
reaction intermediate
linagliptin[no description available]medium10aminopiperidine;
quinazolines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
9,10-dimethylanthracene[no description available]medium10
aspartic acid[no description available]medium30aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
hydrogen cyanide[no description available]medium110hydracid;
one-carbon compound		Escherichia coli metabolite;
human metabolite;
poison
mirabegron[no description available]medium101,3-thiazoles;
aromatic amide;
ethanolamines;
monocarboxylic acid amide		beta-adrenergic agonist
gw9508[no description available]medium10aromatic amine
imiquimod[no description available]medium10imidazoquinolineantineoplastic agent;
interferon inducer
gefitinib[no description available]medium20aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
chlorfluazuron[no description available]medium10benzoylurea insecticide;
dichlorobenzene;
organochlorine insecticide;
organofluorine insecticide
phencyclidine[no description available]medium30benzenes;
piperidines		anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
rutecarpine[no description available]medium10beta-carbolines
evodiamine[no description available]medium10beta-carbolines
quinazolines[no description available]medium50azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
tiletamine hydrochloride[no description available]medium80
viscosinamide[no description available]medium10
iodosobenzene[no description available]medium10
atrazine[no description available]medium20chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
manganese[no description available]medium80elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient
dithiothreitol[no description available]medium801,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
tris(2-carboxyethyl)phosphine[no description available]medium10phosphine derivative;
tricarboxylic acid		reducing agent
peptide a[no description available]medium10
efavirenz[no description available]medium30acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
urethane[no description available]medium10carbamate esterfungal metabolite;
mutagen
lidocaine[no description available]medium60benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
zirconium[no description available]medium130titanium group element atom
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
humulin s[no description available]medium20
n,n'-methylenebisacrylamide[no description available]medium20
phosphoric acid, trisodium salt[no description available]medium130sodium phosphate
hydrochloric acid[no description available]medium140chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
sucrose[no description available]medium30glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
nortriptyline[no description available]medium50organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
n-heptane[no description available]medium80alkane;
volatile organic compound		non-polar solvent;
plant metabolite
sodium acetate, anhydrous[no description available]medium120organic sodium saltNMR chemical shift reference compound
tadalafil[no description available]medium60benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
ethylenediamine[no description available]medium20alkane-alpha,omega-diamineGABA agonist
creosol[no description available]medium10methoxybenzenes;
phenols
quinone methide[no description available]medium30quinomethane
2-hydroxy-1-naphthaldehyde[no description available]medium20naphthaldehydes;
naphthols
fluorine[no description available]medium80diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
2-aminophenol[no description available]medium10aminophenolbacterial metabolite
9,10-anthraquinone[no description available]medium40anthraquinone
1,4-diaminoanthraquinone[no description available]medium10
1-aminoanthraquinone[no description available]medium10
cyanides[no description available]medium440pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor
testosterone propionate[no description available]medium10steroid ester
azobis(isobutyronitrile)[no description available]medium40
europium[no description available]medium50f-block element atom;
lanthanoid atom
cloxyquin[no description available]medium10organochlorine compound;
quinolines
terbium[no description available]medium50f-block element atom;
lanthanoid atom
calixarenes[no description available]medium160
mustard gas[no description available]medium20ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
2-aminopurine[no description available]medium102-aminopurines;
nucleobase analogue		antimetabolite
aluminum[no description available]medium100boron group element atom;
elemental aluminium;
metal atom
resorufin[no description available]medium20phenoxazine
fluorides[no description available]medium140halide anion;
monoatomic fluorine
chlorine[no description available]medium160diatomic chlorine;
gas molecular entity		bleaching agent
edetic acid[no description available]medium130ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
sorbic acid[no description available]medium20alpha,beta-unsaturated monocarboxylic acid;
sorbic acid
diclofenac[no description available]medium50amino 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
tetrabutylammonium[no description available]medium190quaternary ammonium ion
tocopherols[no description available]medium20
tocotrienols[no description available]medium10diterpenoid
n-methacryloyl-l-histidine methyl ester[no description available]medium10
thiophanate[no description available]medium10benzimidazole precursor fungicide;
carbamate ester;
carbamate fungicide;
thioureas		antifungal drug
fuberidazole[no description available]medium10benzimidazole fungicide;
benzimidazoles;
furans		antifungal agrochemical
beauvericin[no description available]medium10
enniatin b[no description available]medium10enniatinantimicrobial agent
ethyl chloroformate[no description available]medium10
ginkgolic acid[no description available]medium10hydroxybenzoic acid
salicylates[no description available]medium40monohydroxybenzoateplant metabolite
chlorquinaldol[no description available]medium10monohydroxyquinoline;
organochlorine compound		antibacterial drug;
antiprotozoal drug;
antiseptic drug
2'-hydroxychalcone[no description available]medium10chalcones;
phenols		anti-inflammatory agent
3-nitrophenol[no description available]medium103-nitrophenols
nitrophenols[no description available]medium70
9-methyladenine[no description available]medium20methyladeninemetabolite
2'-deoxyadenosine[no description available]medium10purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
furaldehyde[no description available]medium30aldehyde;
furans		Maillard reaction product;
metabolite
5-hydroxymethylfurfural[no description available]medium20arenecarbaldehyde;
furans;
primary alcohol		indicator;
Maillard reaction product
metergoline[no description available]medium10carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist
papaverine[no description available]medium20benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
diosgenin[no description available]medium203beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
solanidine[no description available]medium103beta-hydroxy-Delta(5)-steroid;
solanid-5-en-3-ol;
steroid alkaloid fundamental parent		plant metabolite;
toxin
zolpidem[no description available]medium20imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
singlet oxygen[no description available]medium140chalcogen;
monoatomic oxygen;
nonmetal atom		macronutrient
oxalic acid[no description available]medium40alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
beta-nitrostyrene[no description available]medium10
antipyrine[no description available]medium40pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
propyphenazone[no description available]medium20pyrazolonenon-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
acetaminophen[no description available]medium100acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
4-aminophenol[no description available]medium20aminophenolallergen;
metabolite
caffeine[no description available]medium120purine 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
10-methyl-9,10-dihydroacridine[no description available]medium20
carbocyanines[no description available]medium20cyanine dye;
organic iodide salt		fluorochrome
bromfenacoum[no description available]medium20benzenes;
naphthalenes;
ring assembly
coumatetralyl[no description available]medium10hydroxycoumarin
difenacoum[no description available]medium20benzenes;
naphthalenes;
ring assembly
bromadiolone[no description available]medium20diarylheptanoid
cellulase[no description available]medium40cellotriose
hexylamine[no description available]medium10primary aliphatic aminemetabolite
iodine[no description available]medium70diatomic iodinenutrient
iodine[no description available]medium150halide anion;
monoatomic iodine		human metabolite
3-aminopropionaldehyde[no description available]medium10omega-aminoaldehyde;
propanals
fructose-6-phosphate[no description available]medium10D-fructose 6-phosphate
dihydroxyacetone[no description available]medium20ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
5-methyl-2-pyrimidinone[no description available]medium10
nitrites[no description available]medium80monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
phosphine[no description available]medium30mononuclear parent hydride;
phosphanes;
phosphine		carcinogenic agent;
fumigant insecticide
bromine[no description available]medium80diatomic bromine
cyflumetofen[no description available]medium10(trifluoromethyl)benzenes;
2-methoxyethyl ester;
beta-ketoester;
nitrile
2,2',4,4'-tetrabromodiphenyl ether[no description available]medium10aromatic ether;
organobromine compound
lopinavir[no description available]medium20amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
allantoin[no description available]medium10imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
betaine[no description available]medium70amino-acid betaine;
glycine derivative		fundamental metabolite
formal glycol[no description available]medium20cyclic acetal;
dioxolane
propane[no description available]medium80alkane;
gas molecular entity		food propellant
tes[no description available]medium10amino sulfonic acid;
ethanolamines;
TES
eperisone[no description available]medium10aromatic ketone;
piperidines
tolperisone[no description available]medium10aromatic ketone
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
cyclohexane[no description available]medium200cycloalkane;
volatile organic compound		non-polar solvent
organophosphonates[no description available]medium80divalent inorganic anion;
phosphite ion
perfluorobutyric acid[no description available]medium30fluoroalkanoic acidchromatographic reagent;
environmental contaminant;
xenobiotic
retinaldehyde[no description available]medium30retinal;
vitamin A		gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite
glycidol[no description available]medium10epoxide;
primary alcohol
gs 4071[no description available]medium10acetate ester;
amino acid;
cyclohexenecarboxylic acid;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
marine xenobiotic metabolite
oseltamivir[no description available]medium20acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
imipenem, anhydrous[no description available]medium10beta-lactam antibiotic allergen;
carbapenems;
zwitterion		antibacterial drug
cilastatin[no description available]medium10carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide		EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic
n-acetyl-s-(2-hydroxyethyl)cysteine[no description available]medium10N-acyl-amino acid
n-acetyl-s-(2-cyanoethyl)cysteine[no description available]medium10N-acyl-L-amino acid
praseodymium[no description available]medium10f-block element atom;
lanthanoid atom
zearalenol[no description available]medium10
zeranol[no description available]medium10macrolide
oxazolidin-2-one[no description available]medium50carbamate ester;
oxazolidinone		metabolite
phosphonic acid[no description available]medium10
dicofol[no description available]medium10monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol
1-butyl-3-methylimidazolium hexafluorophosphate[no description available]medium20
tributyrin[no description available]medium10butyrate ester;
triglyceride		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent
lapatinib[no description available]medium20furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
sorafenib[no description available]medium20(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
carbonates[no description available]medium90carbon oxoanion
hydrazine[no description available]medium100azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
dansyl hydrazine[no description available]medium20
1,3-dimethyluracil[no description available]medium10pyrimidonemetabolite
thymine[no description available]medium60pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite
5-bromo-1,3-dimethyluracil[no description available]medium10
propylsulfonic acid[no description available]medium30
hypoiodous acid[no description available]medium10iodine oxoacid
fructans[no description available]medium30
tretinoin[no description available]medium70retinoic 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
azobenzene[no description available]medium10azobenzenes
cobalt[no description available]medium60cobalt group element atom;
metal allergen		micronutrient
cadmium[no description available]medium40cadmium molecular entity;
zinc group element atom
donepezil[no description available]medium10aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
daptomycin[no description available]medium20
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
gabapentin[no description available]medium40gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
glycerylphosphorylcholine[no description available]medium20glycerophosphocholine
n-(1-naphthyl)ethylenediamine[no description available]medium10N-substituted diamine
vitamin k 1[no description available]medium20phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
cholecalciferol[no description available]medium30D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
menaquinone 6[no description available]medium10
vitamin d 2[no description available]medium20hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
2,4-dinitrophenol[no description available]medium20dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
cycloxydim[no description available]medium10
hydroxyindoleacetic acid[no description available]medium40indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
3-nitrotyrosine[no description available]medium102-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
kynurenic acid[no description available]medium20monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
kynurenine[no description available]medium10aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
trimethyl phosphine[no description available]medium10tertiary phosphine
resorcinarene[no description available]medium20
sodium azide[no description available]medium30inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen
picolinic acid[no description available]medium20pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
quinolinic acid[no description available]medium10pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
anabasine[no description available]medium10anabasine
acrylic acid[no description available]medium40alpha,beta-unsaturated monocarboxylic acidmetabolite
entecavir[no description available]medium202-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
1,6-diaminohexane[no description available]medium10alkane-alpha,omega-diaminehuman xenobiotic metabolite
glycine amide[no description available]medium10amino acid amide;
glycine derivative
imidacloprid[no description available]medium40imidacloprid;
imidazolidines;
monochloropyridine		environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
thidiazuron[no description available]medium10ureas
n-(2-chloro-4-pyridyl)-n'-phenylurea[no description available]medium10monochloropyridine;
phenylureas		plant growth regulator
vancomycin[no description available]medium40glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
colistin[no description available]medium30
ezetimibe[no description available]medium30azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
benzylamine[no description available]medium20aralkylamine;
primary amine		allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite
hydroxytryptophol[no description available]medium10indoles
n-acetylserotonin[no description available]medium10acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
perfluorooctanoic acid[no description available]medium30fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
tetrabromobisphenol a[no description available]medium20brominated flame retardant;
bromobisphenol
perfluorooctane sulfonic acid[no description available]medium30perfluoroalkanesulfonic acidantilipemic drug;
persistent organic pollutant
caprylates[no description available]medium50fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
rucaparib[no description available]medium10azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
epigallocatechin gallate[no description available]medium50flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
n-vinyl-2-pyrrolidinone[no description available]medium30pyrrolidin-2-ones
citrinin[no description available]medium20
gold tetrachloride, acid[no description available]medium20
gold[no description available]medium150copper group element atom;
elemental gold
sinapinic acid[no description available]medium40sinapic acidMALDI matrix material;
plant metabolite
ferulic acid[no description available]medium50ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
adenosine[no description available]medium30adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
scandium[no description available]medium10d-block element atom;
rare earth metal atom;
scandium group element atom
magnesium perchlorate[no description available]medium30alkaline earth salt
scandium triflate[no description available]medium10
benzanthrone[no description available]medium10phenanthrenes
o-demethyltramadol[no description available]medium10
tramadol[no description available]medium302-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
mefloquine[no description available]medium20
lithium[no description available]medium130alkali metal atom
pyridine n-oxide[no description available]medium10pyridine N-oxidesdrug metabolite
guanidine[no description available]medium110carboxamidine;
guanidines;
one-carbon compound
ferrocenium[no description available]medium10
albendazole sulfoxide[no description available]medium20sulfoxide
fenbendazole[no description available]medium10aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug
oxfendazole[no description available]medium10benzimidazoles;
carbamate ester;
sulfoxide		antinematodal drug
albendazole[no description available]medium20aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
fenitrothion[no description available]medium10C-nitro compound;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
diazinon[no description available]medium30organic thiophosphate;
pyrimidines		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
hypochlorous acid[no description available]medium20chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
diethylurea[no description available]medium10
dronabinol[no description available]medium50benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid[no description available]medium201-benzopyran
stilbenes[no description available]medium90stilbene
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
ethane[no description available]medium50alkane;
gas molecular entity		plant metabolite;
refrigerant
benzo(b)fluorene[no description available]medium10carbotetracyclic compound
tinuvin 770[no description available]medium10
niobium[no description available]medium10vanadium group element atom
phenylphosphonic acid[no description available]medium10benzenes
valproic acid[no description available]medium20branched-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
kresoxim-methyl[no description available]medium20aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
trifloxystrobin[no description available]medium20
picoxystrobin[no description available]medium10aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines		antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor
2-thiothymine[no description available]medium10
thiouracil[no description available]medium20nucleobase analogue;
thiocarbonyl compound		antithyroid drug;
metabolite
aporphine[no description available]medium10aporphine alkaloid;
isoquinoline alkaloid fundamental parent;
tertiary amino compound
1-hexene[no description available]medium10alkene
sildenafil citrate[no description available]medium71citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
aminotadalafil[no description available]medium10
d-alpha tocopherol[no description available]medium150alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
dimethyl phthalate[no description available]medium10diester;
methyl ester;
phthalate ester
4-nitrothiophenolate[no description available]medium10
tetrabutoxy titanium[no description available]medium10
propionitrile[no description available]high150aliphatic nitrile;
volatile organic compound		polar aprotic solvent
lactamide[no description available]medium10monocarboxylic acid amide;
secondary alcohol
caprolactam[no description available]medium20caprolactamshuman blood serum metabolite
propionamide[no description available]medium10monocarboxylic acid amide;
primary fatty amide
acetohydroxamic acid[no description available]medium10acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
rhenium[no description available]medium40manganese group element atom
carbon monoxide[no description available]medium70carbon 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
mianserin[no description available]medium40dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
demethylmirtazapine[no description available]medium10benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
human xenobiotic metabolite;
serotonergic antagonist
carboxymethyl-beta-cyclodextrin[no description available]medium20
8-hydroxymirtazapine[no description available]medium10
2,5-dihydroxybenzoic acid[no description available]medium30dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
pyrene[no description available]medium50ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant
fumonisin b1[no description available]medium40diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
t-2 toxin[no description available]medium40
oxyluciferin[no description available]medium10Photinus luciferinoxidized luciferins
2-dodecylcyclobutanone[no description available]medium20cyclic ketone
iodoacetamide[no description available]medium10
fenthion[no description available]medium20organic thiophosphateacaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
perchlorate[no description available]medium40chlorine oxoanion;
monovalent inorganic anion
ethinyl estradiol[no description available]medium2017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
estrone[no description available]medium2017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
2-(1-piperidinylmethyl)phenol[no description available]medium10
rhodamine 6g[no description available]medium40
pyrazolone[no description available]medium10
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
methylphenidate[no description available]medium10beta-amino acid ester;
methyl ester;
piperidines
ethylphenidate[no description available]medium10
6-(2-aminopropyl)benzofuran[no description available]medium10
aliskiren[no description available]medium10monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent
fumarates[no description available]medium30butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
nifenazone[no description available]medium10pyrazoles;
ring assembly
trimetazidine[no description available]medium20aromatic amine
hydroxide ion[no description available]medium20oxygen hydridemouse metabolite
cyclopentane[no description available]medium10cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent
cephalosporin c[no description available]medium40cephalosporinfungal metabolite
dinitrobenzenes[no description available]medium50
clindamycin[no description available]medium30
clindamycin phosphate[no description available]medium20
cycloserine[no description available]medium204-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
2,2'-dipyridyl[no description available]medium50bipyridinechelator;
ferroptosis inhibitor
acetylacetone[no description available]medium10beta-diketone
(3z,6alpha,7alpha)-isomer of 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3h)-isobenzofuranone[no description available]medium102-benzofurans
4-butyrolactone[no description available]medium30butan-4-olidemetabolite;
neurotoxin
ligustilide[no description available]medium20butenolidemetabolite
senkyunolide i[no description available]medium20
3-n-butyl-4,5-dihydrophthalide[no description available]medium20
dipicolinic acid[no description available]medium20pyridinedicarboxylic acidbacterial metabolite
epiafzelechin[no description available]medium10catechinplant metabolite
silver nitrate[no description available]medium20inorganic nitrate salt;
silver salt		astringent
mycophenolic acid[no description available]medium402-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
nivalenol[no description available]medium30trichothecene
rifampin[no description available]medium20cyclic 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
scutellarin[no description available]medium20glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
caffeic acid[no description available]medium30caffeic acidgeroprotector;
mouse metabolite
protocatechuic acid[no description available]medium30catechols;
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
molybdenum trioxide[no description available]medium10molybdenum oxide
molybdenum[no description available]medium90chromium group element atommicronutrient
arsine[no description available]medium10arsanes;
arsine;
mononuclear parent hydride
ditiocarb[no description available]medium20dithiocarbamic acidschelator;
copper chelator
silver diethyldithiocarbamate[no description available]medium10
trifolirhizin[no description available]medium10pterocarpans
inermin[no description available]medium10maackiain
sophoranone[no description available]medium104'-hydroxyflavanones;
dihydroxyflavanone		plant metabolite
a 82846a[no description available]medium10
camptothecin[no description available]medium70delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
irinotecan[no description available]medium50carbamate 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
silicon carbide[no description available]medium10organosilicon compound
triacetylguanosine[no description available]medium10
7-methylguanosine[no description available]medium10methylguanosine;
organic cation		metabolite
guanosine[no description available]medium30guanosines;
purines D-ribonucleoside		fundamental metabolite
bathocuproine disulfonate[no description available]medium20arenesulfonic acid;
phenanthrolines		chelator
temozolomide[no description available]medium10imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
dacarbazine[no description available]medium10dacarbazine
1,2-distearoylphosphatidylethanolamine[no description available]medium10phosphatidylethanolamine zwitterion;
phosphatidylethanolamine		human metabolite
tabun[no description available]medium10
soman[no description available]medium10phosphonic ester
sarin[no description available]medium10fluorine molecular entity;
phosphinic ester
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene[no description available]medium30BODIPY compound
dapoxetine[no description available]medium10naphthalenes
acrolein[no description available]medium40enalherbicide;
human xenobiotic metabolite;
toxin
formamide[no description available]medium110carboximidic acid;
formamides;
monocarboxylic acid amide;
one-carbon compound		solvent
hydroxyl radical[no description available]medium90oxygen hydride;
oxygen radical;
reactive oxygen species
nitenpyram[no description available]medium10chloropyridyl insecticide;
nitenpyram
thiamethoxam[no description available]medium201,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane		antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
clothianidin[no description available]medium101,3-thiazoles;
2-nitroguanidine derivative;
clothianidin;
organochlorine compound		environmental contaminant;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
prizes[no description available]medium20carboxamidine;
monochloropyridine;
nitrile		environmental contaminant;
neonicotinoid insectide;
xenobiotic
thiacloprid[no description available]medium10monochloropyridine;
nitrile;
thiazolidines		environmental contaminant;
neonicotinoid insectide;
xenobiotic
2,2'-dipicolylamine[no description available]medium20
paliperidone palmitate[no description available]medium101,2-benzoxazoles;
fatty acid ester;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
polidocanol[no description available]medium10hydroxypolyetherhepatotoxic agent;
nonionic surfactant;
sclerotherapy agent
pirimicarb[no description available]medium20aminopyrimidine;
carbamate ester;
tertiary amino compound		agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
withaferin a[no description available]medium1027-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
primary alcohol;
secondary alcohol;
withanolide		antineoplastic agent;
apoptosis inducer
withanolides[no description available]medium10
ici 204,219[no description available]medium10carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
canagliflozin[no description available]medium10C-glycosyl compound;
organofluorine compound;
thiophenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
acenaphthylene[no description available]medium10acenaphthylenes;
ortho- and peri-fused polycyclic arene;
ortho- and peri-fused tricyclic hydrocarbon
cyclopenta(c,d)pyrene[no description available]medium10pyrenes
benzo(j)fluoranthene[no description available]medium10naphthalenes
sulfuric acid[no description available]medium40sulfur oxoacidcatalyst
benzotriazole[no description available]medium10benzotriazolesenvironmental contaminant;
xenobiotic
methionine[no description available]medium30aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
2-acrylamido-2-methylpropanesulfonate[no description available]medium20organosulfonic acid
18-crown-6 2,3,11,12-tetracarboxylic acid[no description available]medium30
fendiline[no description available]medium10diarylmethane
cardiovascular agents[no description available]medium10
diethyl phthalate[no description available]medium10diester;
ethyl ester;
phthalate ester		neurotoxin;
plasticiser;
teratogenic agent
neobavaisoflavone[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
isobavachalcone[no description available]medium10chalcones;
polyphenol		antibacterial agent;
metabolite;
platelet aggregation inhibitor
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium10(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
pravastatin[no description available]medium103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
olmesartan medoxomil[no description available]medium20biphenyls
cyprodinil[no description available]medium10aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound		antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic
tetrachloroisophthalonitrile[no description available]medium10aromatic fungicide;
dinitrile;
tetrachlorobenzene		antifungal agrochemical
miconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles
secnidazole[no description available]medium10C-nitro compound;
imidazoles;
secondary alcohol		epitope
tioconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
thiophenes
quercetagetin[no description available]medium10flavonols;
hexahydroxyflavone		antioxidant;
antiviral agent;
plant metabolite
anandamide[no description available]medium10endocannabinoid;
N-acylethanolamine 20:4		human blood serum metabolite;
neurotransmitter;
vasodilator agent
thymopentin[no description available]medium20oligopeptide
pyrimidine dimers[no description available]medium10
fangchinoline[no description available]medium10
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
benzoylacetone[no description available]medium10
2-oxindole[no description available]medium10gamma-lactam;
indolinone
mercury[no description available]medium90elemental mercury;
zinc group element atom		neurotoxin
chromium[no description available]medium40chromium group element atom;
metal allergen		micronutrient
4-vinylpyridine[no description available]medium30
daidzein[no description available]medium207-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
genistein[no description available]medium207-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
azaspiracid[no description available]medium20
yessotoxin[no description available]medium10ciguatoxin
hydroquinidine[no description available]medium10cinchona alkaloid
3,5-dimethylpyrazole[no description available]medium10
dichlorodicyanobenzoquinone[no description available]medium50
benzotrifluoride[no description available]medium10(trifluoromethyl)benzenes;
fluorohydrocarbon		environmental contaminant;
NMR chemical shift reference compound;
solvent
beta carotene[no description available]medium30carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
alpha-carotene[no description available]medium20carotenoid beta-end derivative;
cyclic carotene		plant metabolite;
provitamin A
lutein[no description available]medium10carotenolfood colouring;
plant metabolite
phthalic acid[no description available]medium40benzenedicarboxylic acidhuman xenobiotic metabolite
thiocyanate[no description available]medium30pseudohalide anion;
sulfur molecular entity		human metabolite
nitrates[no description available]medium130monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
malachite green[no description available]medium60organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
c.i. 42510[no description available]medium90
leucomalachite green[no description available]medium70benzenoid aromatic compound
malonic acid[no description available]medium10alpha,omega-dicarboxylic acidhuman metabolite
lead[no description available]medium30carbon group element atom;
elemental lead;
metal atom		neurotoxin
tempo[no description available]medium10aminoxyls;
piperidines		catalyst;
ferroptosis inhibitor;
radical scavenger
beta-escin[no description available]medium60
araloside a[no description available]medium10
ginsenoside ro[no description available]medium10triterpenoid saponinmetabolite
notoginsenoside r1[no description available]medium1012beta-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
chikusetsu saponin iva[no description available]medium10triterpenoid saponinmetabolite
rosiglitazone[no description available]medium20aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
pioglitazone[no description available]medium20aromatic 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
benzo(a)pyrene[no description available]medium60ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
berberine[no description available]medium60alkaloid 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
gamma-sitosterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite
cytellin[no description available]medium10
ubiquinone[no description available]medium40
antroquinonol d[no description available]medium10enol ether;
enone;
secondary alcohol		antineoplastic agent;
fungal metabolite
harmine[no description available]medium30harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
timolol[no description available]medium20timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
deuterium oxide[no description available]medium70deuterated compound;
water		NMR solvent
niacin[no description available]medium10pyridine 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
ascorbic acid[no description available]medium110ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
naphthoquinones[no description available]medium80
astragalin[no description available]medium10beta-D-glucoside;
kaempferol O-glucoside;
monosaccharide derivative;
trihydroxyflavone		plant metabolite;
trypanocidal drug
quercitrin[no description available]medium10alpha-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
isoquercitrin[no description available]medium20
kaempferol-3-o-rutinoside[no description available]medium30disaccharide derivative;
kaempferol O-glucoside;
rutinoside;
trihydroxyflavone		metabolite;
plant metabolite;
radical scavenger
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
lincomycin[no description available]medium20carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
boranes[no description available]medium60boranes;
mononuclear parent hydride
niclosamide[no description available]medium10benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
leucogentian violet[no description available]medium30benzenoid aromatic compound
sodium borohydride[no description available]medium10inorganic sodium salt;
metal tetrahydridoborate
2,3-dimethyl-1,3-butadiene[no description available]medium10
benzophenone[no description available]medium20benzophenonesphotosensitizing agent;
plant metabolite
coenzyme f420[no description available]medium10
riboflavin[no description available]medium30flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
zanamivir[no description available]medium10guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
pamabrom[no description available]medium10
theophylline[no description available]medium70dimethylxanthineadenosine 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
vanillic acid[no description available]medium10methoxybenzoic acid;
monohydroxybenzoic acid		plant metabolite
malathion[no description available]medium60diester;
ethyl ester;
organic thiophosphate
vanadium[no description available]medium20elemental vanadium;
vanadium group element atom		micronutrient
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
losartan[no description available]medium20biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
carnosine[no description available]medium10amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
1-hydroxypyrene[no description available]medium10pyrenes
pheophytin a[no description available]medium30
chlorophyll a[no description available]medium50chlorophyll;
methyl ester		cofactor
ibandronic acid[no description available]medium10
periplocin[no description available]medium10
periplogenin[no description available]medium10
periplocymarin[no description available]medium10
digitoxigenin[no description available]medium1014beta-hydroxy steroid;
3beta-hydroxy steroid
diflubenzuron[no description available]medium10benzoylurea insecticide;
monochlorobenzenes		insect sterilant
1-(2-chlorobenzoyl)-3-(4-chlorophenyl)urea[no description available]medium10
apocarotenal[no description available]medium10apo carotenoid triterpenoid;
enal
ampelopsin[no description available]medium10dihydromyricetin;
secondary alpha-hydroxy ketone		antineoplastic agent;
antioxidant;
metabolite
alpha-lapachone[no description available]medium10organic heterotricyclic compound;
organooxygen compound
1,2-naphthoquinone[no description available]medium101,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
beta-lapachone[no description available]medium20benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
2-(trifluoromethyl)acrylic acid[no description available]medium10
indapamide[no description available]medium10indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
7-hydroxycoumarin[no description available]medium10hydroxycoumarinfluorescent probe;
food component;
plant metabolite
perindopril[no description available]medium20alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
luminol[no description available]medium20
4-(1h-imidazol-4-ylmethyl)piperidine[no description available]medium10piperidines
amantadine[no description available]medium30adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
chloroacetamide[no description available]medium10
chloramine[no description available]medium20halide
heptakis(2,6-o-dimethyl)beta-cyclodextrin[no description available]medium20
thorium[no description available]medium10actinoid atom;
f-block element atom
uranium[no description available]medium10actinoid atom;
f-block element atom;
monoatomic uranium
1,10-phenanthroline[no description available]medium40phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
thionium[no description available]medium10
4-chloro-5-sulfamoylanthranilic acid[no description available]medium10benzenes;
sulfonamide
cupric chloride[no description available]medium20copper molecular entity;
inorganic chloride		EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
sodium nitrite[no description available]medium10inorganic sodium salt;
nitrite salt		antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
fingolimod hydrochloride[no description available]medium10hydrochlorideimmunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
caseins[no description available]medium40
ampicillin[no description available]medium30beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
protoporphyrin ix[no description available]medium10
likviriton[no description available]medium20beta-D-glucoside;
flavanone glycoside;
monohydroxyflavanone;
monosaccharide derivative		anti-inflammatory agent;
anticoronaviral agent;
plant metabolite
coptisine[no description available]medium20alkaloidmetabolite
baicalein[no description available]medium30trihydroxyflavoneangiogenesis 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
wogonin[no description available]medium40dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
palmatine[no description available]medium20berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
glycyrrhizic acid[no description available]medium30enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
wogonoside[no description available]medium10beta-D-glucosiduronic acid;
glycosyloxyflavone;
monohydroxyflavone;
monomethoxyflavone;
monosaccharide derivative
chlorocresol[no description available]medium10hydroxytoluene;
monochlorobenzenes		antimicrobial agent;
disinfectant;
ryanodine receptor agonist
cetylpyridinium[no description available]medium10pyridinium ion
ovalbumin[no description available]medium60
pyrazole[no description available]medium20pyrazole
malvidin-3-glucoside[no description available]medium10anthocyanin cation;
aromatic ether;
beta-D-glucoside		metabolite
indazoles[no description available]medium30indazole
dimethylaminochalcone[no description available]medium10
2,6-dichloro-4-nitrophenol[no description available]medium10
2-amino-4-picoline[no description available]medium10
phthalide[no description available]medium102-benzofurans;
gamma-lactone
coniferyl ferulate[no description available]medium10
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
pyrazinamide[no description available]medium20monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
isoniazid[no description available]medium30carbohydrazideantitubercular agent;
drug allergen
ranitidine[no description available]medium10C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
nizatidine[no description available]medium10
famotidine[no description available]medium101,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
tetraethylammonium[no description available]medium20quaternary ammonium ion
phenacetin[no description available]medium30acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
tacrine[no description available]medium30acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
fluphenacur[no description available]medium10aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound
emamectin benzoate[no description available]medium20emamectins
alpha-aminopyridine[no description available]medium40
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
aldicarb[no description available]medium10
isobutyronitrile[no description available]high30aliphatic nitrile;
volatile organic compound		polar aprotic solvent
triflimide[no description available]medium10
isoprene[no description available]medium10alkadiene;
hemiterpene;
volatile organic compound		plant metabolite
carbon disulfide[no description available]medium50one-carbon compound;
organosulfur compound
3-methylhexane[no description available]medium10alkane;
volatile organic compound		human metabolite
hydrogen sulfide[no description available]medium30gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
dipicrylamine[no description available]medium10
ortho-hydroxybenzophenone[no description available]medium10
resveratrol[no description available]medium30resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
2,2-bis(4-glycidyloxyphenyl)propane[no description available]medium30diarylmethane
3,4-dihydroxybenzylamine[no description available]medium10catechols
3,4-dihydroxyphenylacetic acid[no description available]medium20catechols;
dihydroxyphenylacetic acid		human metabolite
5-hydroxytryptophan[no description available]medium10hydroxytryptophanhuman metabolite;
neurotransmitter
3-methoxytyramine[no description available]medium10monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		biomarker;
human blood serum metabolite;
human urinary metabolite
maltitol[no description available]medium10alpha-D-glucoside;
glycosyl alditol		laxative;
metabolite;
sweetening agent
xylitol[no description available]medium10
acebutolol[no description available]medium40alpha-D-glucosyl-(1->4)-D-mannopyranose
levodopa[no description available]medium10amino 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
sulphoraphene[no description available]medium10
oryzalin[no description available]medium10aromatic amine;
C-nitro compound;
sulfonamide;
tertiary amino compound		agrochemical;
antimitotic;
herbicide
stachyose[no description available]medium10raffinose family oligosaccharide;
tetrasaccharide		mouse metabolite;
plant metabolite
benzo(c)fluorene[no description available]medium10carbotetracyclic compound
calcium acetate[no description available]medium10calcium saltchelator
2-nitrophenylhydrazine[no description available]medium20
3-chloropropionic acid[no description available]medium10
2-chloropropionic acid[no description available]medium10
2-bromopropionic acid, (dl)-isomer[no description available]medium10
pyranine[no description available]medium10organic sodium saltfluorochrome
neodymium[no description available]medium10f-block element atom;
lanthanoid atom
oleic acid[no description available]medium30octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
pinocembrin[no description available]medium10(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
pinostrobin[no description available]medium10ether;
flavonoids
trimethoxysilane[no description available]medium10
tetramethoxysilane[no description available]medium10
deoxyguanosine[no description available]medium30purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
8-hydroxy-2'-deoxyguanosine[no description available]medium20guanosinesbiomarker
monoethylglycinexylidide[no description available]medium10amino acid amidedrug metabolite
orabase[no description available]medium30
propionic anhydride[no description available]medium10
dimethylsulfonioacetate[no description available]medium30sulfonium betaine
enkephalin, leucine[no description available]medium30pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
succinic acid[no description available]medium10alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
thiobarbituric acid[no description available]medium10barbituratesallergen;
reagent
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
androstenedione[no description available]medium2017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
cortodoxone[no description available]medium10deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
11-hydroxyprogesterone[no description available]medium10
racecadotril[no description available]medium10N-acyl-amino acid
thiorphan[no description available]medium10N-acyl-amino acid
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
lissamine rhodamine b sulfonyl chloride[no description available]medium10
diphenhydramine[no description available]medium10ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
propylparaben[no description available]medium120benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
isopropyl thiogalactoside[no description available]medium10S-glycosyl compound
eslicarbazepine[no description available]medium10dibenzooxazepine
10-hydroxycarbamazepine[no description available]medium20carboxamide;
dibenzoazepine;
ureas		anticonvulsant;
drug allergen;
sodium channel blocker
carbamazepine[no description available]medium51dibenzoazepine;
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
oxcarbazepine[no description available]medium31cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
eslicarbazepine acetate[no description available]medium20acetate ester;
carboxamide;
dibenzoazepine;
ureas		anticonvulsant;
drug allergen
tetramethylenedisulfotetramine[no description available]medium10
sodium sulfate[no description available]medium30inorganic sodium salt
2,3,4,6-tetrachlorophenol[no description available]medium100tetrachlorophenolxenobiotic metabolite
hippuric acid[no description available]medium10N-acylglycinehuman blood serum metabolite;
uremic toxin
durapatite[no description available]medium10
fluoxetine[no description available]medium20(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
congo red[no description available]medium40bis(azo) compound
phenylguanidine[no description available]medium10
laulimalide[no description available]medium10carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent
ergosterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite
mycophenolic acid glucuronide[no description available]medium10
transferrin[no description available]medium10
xanthorrhizol[no description available]medium10sesquiterpenoid
protopanaxatriol[no description available]medium20
sapogenins[no description available]medium20
n-(4-methoxyphenyl)retinamide[no description available]medium10
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
lorazepam[no description available]medium31benzodiazepine
oxazepam[no description available]medium201,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
temazepam[no description available]medium30benzodiazepine
benzoylacrylic acid[no description available]medium10
deoxyribose[no description available]medium10deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thioctic acid[no description available]medium10dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector
erlotinib hydrochloride[no description available]medium10hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor
linarin[no description available]medium30
laccase[no description available]medium60
trypan blue[no description available]medium20
diphenylamine[no description available]medium20aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
methanesulfonic acid[no description available]medium10alkanesulfonic acid;
one-carbon compound		Escherichia coli metabolite
2,3,7,8-tetrachlorodibenzofuran[no description available]medium10polychlorinated dibenzofuran
bifenthrin[no description available]medium10carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide
decamethrin[no description available]medium10aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound		agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide
ethidium[no description available]medium20phenanthridinesfluorochrome;
intercalator
dihydroethidium[no description available]medium10
hydroxyurea[no description available]medium10one-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
chlorophacinone[no description available]medium10beta-triketone;
diarylmethane
diphenadione[no description available]medium10beta-triketone;
diarylmethane
phenindione[no description available]medium10aromatic ketone;
beta-diketone		anticoagulant
fluoroboric acid[no description available]medium10boron fluoride
cetirizine[no description available]medium10ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
3-mercaptopropionic acid[no description available]medium10mercaptopropanoic acidalgal metabolite
pentaerythritol tetra(3-mercaptopropionate)[no description available]medium10
tussilagone[no description available]medium10
sesquiterpenes[no description available]medium100
serine[no description available]medium30L-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
octanoic acid[no description available]medium10medium-chain fatty acid;
straight-chain saturated fatty acid		antibacterial agent;
Escherichia coli metabolite;
human metabolite
nitrofurazone[no description available]medium10
acephate[no description available]medium10mixed diacylamine;
organic thiophosphate;
organothiophosphate insecticide;
phosphoramide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
methyl demeton[no description available]medium10
dimethoate[no description available]medium30monocarboxylic acid amide;
organic thiophosphate		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic
monocrotophos[no description available]medium10alkenyl phosphate;
dialkyl phosphate;
monocarboxylic acid amide;
organophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
methamidophos[no description available]medium10organic thiophosphate;
organothiophosphate insecticide;
phosphoramide		acaricide;
agrochemical;
avicide
dimethoxon[no description available]medium10organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
methyl 3,4-dihydroxybenzoate[no description available]medium10catechols;
methyl ester		antioxidant;
neuroprotective agent;
plant metabolite
pyrrolidine[no description available]medium20azacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
seratrodast[no description available]medium10organic molecular entity
1,4-naphthoquinone[no description available]medium201,4-naphthoquinones
oxytetracycline, anhydrous[no description available]medium50
chlortetracycline[no description available]medium20
methacycline[no description available]medium10
capsaicin[no description available]medium20capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
zeolites[no description available]medium30
3,5-di-tert-butylcatechol[no description available]medium30
3,4,5,6-tetrachlorocatechol[no description available]medium10chlorocatechol;
tetrachlorobenzene
sulfoxide[no description available]medium20benzodioxoles
safrole[no description available]medium20benzodioxolesflavouring agent;
insecticide;
metabolite;
plant metabolite
tinidazole[no description available]medium20imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
omeprazole[no description available]medium30aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
anastrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
3-(2,2,2-trimethylhydrazine)propionate[no description available]medium10ammonium betainecardioprotective agent;
EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor;
neuroprotective agent
dichlorvos[no description available]medium30alkenyl phosphate;
dialkyl phosphate;
organochlorine acaricide;
organophosphate insecticide		anthelminthic drug;
antibacterial agent;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
carbofuran[no description available]medium101-benzofurans;
carbamate ester		acaricide;
agrochemical;
avicide;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nematicide
methylparaoxon[no description available]medium10C-nitro compound
paraoxon[no description available]medium20aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
carbaryl[no description available]medium20carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
althiazide[no description available]medium10benzothiadiazine
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
isosteviol[no description available]medium10diterpenoid
piroxicam[no description available]medium60benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
reboxetine[no description available]medium10aromatic ether
sodium perchlorate[no description available]medium70inorganic sodium salt
n-phenylpyrrole[no description available]medium10
mobiflex[no description available]medium30heteroaryl 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
apaflurane[no description available]medium10
dimethyl sulfate[no description available]medium30alkyl sulfatealkylating agent;
immunosuppressive agent
safranine t[no description available]medium10organic chloride saltfluorochrome;
histological dye
phenosafranine[no description available]medium10organic chloride saltfluorochrome;
histological dye;
photosensitizing agent
3,4-dihydroxyphenylethanol[no description available]medium10catechols;
primary alcohol		antineoplastic agent;
antioxidant;
metabolite
ritonavir[no description available]medium201,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
granite[no description available]medium10triazolopyrimidines
cysteamine[no description available]medium10amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
oxalates[no description available]medium30
bis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate[no description available]medium10
melatonin[no description available]medium20acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
bisoprolol[no description available]medium10secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
argon[no description available]medium20monoatomic argon;
noble gas atom;
p-block element atom		food packaging gas;
neuroprotective agent
chloranil[no description available]medium301,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
2-hydroxy-1,4-benzoquinone[no description available]medium10monohydroxy-1,4-benzoquinonesmouse metabolite
porphycene[no description available]medium20
abt 869[no description available]medium10aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bromide[no description available]medium80halide anion;
monoatomic bromine
proline[no description available]medium60amino 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
prodan[no description available]medium102-acyl-6-dimethylaminonaphthalene
2-naphthylamine[no description available]medium10naphthylaminecarcinogenic agent
fluorouracil[no description available]medium60nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
bryostatin 1[no description available]medium10
dithiane[no description available]medium10dithiane
spirastrellolide a[no description available]medium10
azauracil[no description available]medium301,2,4-triazines;
nucleobase analogue		antimetabolite
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
zinc sulfate[no description available]medium40metal sulfate;
zinc molecular entity		fertilizer
trinitrotoluene[no description available]medium70trinitrotolueneexplosive
tripropylamine[no description available]medium10tertiary amine
succinylcholine[no description available]medium10quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
tromethamine[no description available]medium80primary amino compound;
triol		buffer
raltegravir potassium[no description available]medium10
2,2,2-trifluoroethyl methacrylate[no description available]medium10
biotin[no description available]medium30biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
pqq cofactor[no description available]medium10orthoquinones;
pyrroloquinoline cofactor;
tricarboxylic acid		anti-inflammatory agent;
antioxidant;
cofactor;
water-soluble vitamin (role)
boric acid[no description available]medium60boric acidsastringent
piperazine[no description available]medium10azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent		anthelminthic drug
octahydroindole-2-carboxylic acid[no description available]medium10
sodium hydride[no description available]medium10
floxuridine[no description available]medium30nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
gemcitabine[no description available]medium10organofluorine 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
2',2'-difluoro-2'-deoxyuridine[no description available]medium10
iron perchlorate[no description available]medium10
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
dimyristoylphosphatidylcholine[no description available]medium101,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite
lanatoside c[no description available]medium10
vitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
lanatosides[no description available]medium10
4-toluenesulfonic acid[no description available]medium10arenesulfonic acid;
toluenes
avapro[no description available]medium20azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
biliverdine[no description available]medium10
simvastatin[no description available]medium50delta-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
valine[no description available]medium30L-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
valsartan[no description available]medium20biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
simvastatin acid[no description available]medium20carbonyl compound
gallamine triethiodide[no description available]medium10
acetylthiocholine[no description available]medium20
xylose[no description available]medium20D-xylose
carnitine[no description available]medium50amino-acid betainehuman metabolite;
mouse metabolite
s-adenosylmethionine[no description available]medium40sulfonium betainehuman metabolite
glycolipids[no description available]medium20
sulfamethazine[no description available]medium30pyrimidines;
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
divinyl benzene[no description available]medium30styrenes
3-(trimethoxysilyl)propyl methacrylate[no description available]medium10
dehydrocorydalin[no description available]medium10alkaloid
tetrahydropalmatine[no description available]medium40
albuterol[no description available]medium30phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
clenbuterol[no description available]medium20amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
ractopamine[no description available]medium10benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
phosphatidylcholines[no description available]medium1001,2-diacyl-sn-glycero-3-phosphocholine
sodium taurodeoxycholate[no description available]medium10bile acid taurine conjugatehuman metabolite
octylamine[no description available]medium21primary aliphatic aminemetabolite
povidone-iodine[no description available]medium10
tiliroside[no description available]medium10cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
oleuropein[no description available]medium10beta-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
iridoids[no description available]medium30
dalteparin[no description available]medium20
alpha-naphthyl isocyanate[no description available]medium10
cyanates[no description available]medium30
dehydroevodiamine[no description available]medium10
rhodamine 123[no description available]medium10organic cation;
xanthene dye		fluorochrome
2-ethylhexyl salicylate[no description available]medium10benzoate ester;
phenols
camphor, (+-)-isomer[no description available]medium20bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
enzacamene[no description available]medium10
octocrylene[no description available]medium10diarylmethane
homosalate[no description available]medium10benzoate ester;
phenols
octylmethoxycinnamate[no description available]medium10cinnamate ester
n-hexadecane[no description available]medium20long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
2,2,4-trimethylpentane[no description available]medium20alkane;
volatile organic compound		fuel additive;
nephrotoxin;
non-polar solvent
calix(4)arene[no description available]medium50
iron(iii)-deuteroporphyrin[no description available]medium10
dexmedetomidine[no description available]medium11medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
4-(4-nitrobenzyl)pyridine[no description available]medium20
troglitazone[no description available]medium10chromanes;
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
oxazoles[no description available]medium401,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
tungsten[no description available]medium30chromium group element atommicronutrient
fludarabine[no description available]medium10purine nucleoside
5-chlorouracil[no description available]medium10organochlorine compound
5-fluorodihydrouracil[no description available]medium10pyrimidone
5'-deoxy-5-fluorocytidine[no description available]medium10N-glycosyl compound
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
capecitabine[no description available]medium10carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
decabromobiphenyl ether[no description available]medium10polybromodiphenyl etherneurotoxin
butyraldehyde[no description available]medium10butanalsbiomarker;
Escherichia coli metabolite;
mouse metabolite
dicyanmethane[no description available]medium30aliphatic nitrile;
dinitrile
1,4-dihydropyridine[no description available]medium20
dihydropyridines[no description available]medium40
nitric acid[no description available]medium30nitrogen oxoacidprotic solvent;
reagent
chlorprothixene[no description available]medium20chlorprothixene
lead nitrate[no description available]medium10inorganic nitrate salt;
lead coordination entity
mercuric chloride[no description available]medium20mercury coordination entitysensitiser
2,3,4,5,6-pentafluorophenol[no description available]medium10
aminosalicylic acid[no description available]medium20aminobenzoic acid;
phenols		antitubercular agent
p-aminohippuric acid[no description available]medium20N-acylglycineDaphnia magna metabolite
mebeverine[no description available]medium10
coumarin 153[no description available]medium307-aminocoumarinsfluorochrome
8-azaadenine[no description available]medium10aromatic amine;
nucleobase analogue;
triazolopyrimidines		EC 1.17.3.2 (xanthine oxidase) inhibitor;
Mycoplasma genitalium metabolite
azaguanine[no description available]medium10nucleobase analogue;
triazolopyrimidines		antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
5-azacytosine[no description available]medium10monoamino-1,3,5-triazine
sperm motility inhibitor 2[no description available]medium20
samarium[no description available]medium20f-block element atom;
lanthanoid atom
ethylene oxide[no description available]medium10gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
folic acid[no description available]medium40folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
benzimidazole[no description available]medium10benzimidazole;
polycyclic heteroarene
indoline[no description available]medium10indoles
nordazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
meldrum's acid[no description available]medium10
4-chloro-7-nitrobenzofurazan[no description available]medium60benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
paroxetine[no description available]medium30aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
phenolsulfonphthalein[no description available]medium202,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
brevetoxin[no description available]medium10
andrographolide[no description available]medium10carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
dodine[no description available]medium10acetate salt;
aliphatic nitrogen antifungal agent		antibacterial agent;
antifungal agrochemical
glutaral[no description available]medium50dialdehydecross-linking reagent;
disinfectant;
fixative
simetryn[no description available]medium10diamino-1,3,5-triazine;
methylthio-1,3,5-triazine		herbicide
2,4-dinitrophenylhydrazine[no description available]medium30C-nitro compound;
phenylhydrazines		reagent
enrofloxacin[no description available]medium60cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		antibacterial agent;
antimicrobial agent;
antineoplastic agent
methyl linoleate[no description available]medium50fatty acid methyl esterplant metabolite
4-oxo-2-nonenal[no description available]medium10enal;
enone		human metabolite
furan[no description available]medium20furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
gamma-tocopherol[no description available]medium10tocopherol;
vitamin E		algal metabolite;
food antioxidant;
plant metabolite
cynarine[no description available]medium10alkyl caffeate ester;
quinic acid		plant metabolite
veliparib[no description available]medium10benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cocaethylene[no description available]medium20benzoate ester
benzoylecgonine[no description available]medium20benzoate ester;
tropane alkaloid		epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
fenton's reagent[no description available]medium20
cesium[no description available]medium50alkali metal atom
cesium chloride[no description available]medium20inorganic caesium salt;
inorganic chloride		phase-transfer catalyst;
vasoconstrictor agent
technetium[no description available]medium10manganese group element atom
cyclosporine[no description available]medium41
sepharose[no description available]medium60
glycylglycine[no description available]medium10dipeptide zwitterion;
dipeptide		human metabolite
thioflavin t[no description available]medium40organic chloride saltfluorochrome;
geroprotector;
histological dye
pefloxacin[no description available]medium10fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
butyl methacrylate[no description available]medium20enoate ester
benzeneboronic acid[no description available]medium20boronic acids
diphenylborinic acid[no description available]medium10
phosphatidylethanol[no description available]medium10
angiotensin i[no description available]medium20angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent
zopiclone[no description available]medium20monochloropyridine;
pyrrolopyrazine		central nervous system depressant;
sedative
oxiracetam[no description available]medium10organonitrogen compound;
organooxygen compound
piracetam[no description available]medium20organonitrogen compound;
organooxygen compound
maleopimaric acid[no description available]medium10
1-methyl-3-ethylimidazolium[no description available]medium201-alkyl-3-methylimidazolium
perylene[no description available]medium20ortho- and peri-fused polycyclic arene;
perylenes
lithium perchlorate[no description available]medium50
hydroxyflutamide[no description available]medium10
flutamide[no description available]medium10(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
tegafur[no description available]medium10organohalogen compound;
pyrimidines
1-methylnaphthalene[no description available]medium10methylnaphthalenecarcinogenic agent;
plant metabolite
chrysene[no description available]medium10ortho-fused polycyclic areneplant metabolite
diphenyl[no description available]medium30aromatic fungicide;
benzenes;
biphenyls		antifungal agrochemical;
antimicrobial food preservative
triphenylene[no description available]medium10ortho-fused polycyclic arene
phenanthrenes[no description available]medium70
omega-n-methylarginine[no description available]medium10amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
dimethylarginine[no description available]medium10
dimethyl methylphosphonate[no description available]medium20
memantine[no description available]medium10adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
erythrosine[no description available]medium40
2-(methacryloyloxy)ethyl phosphate[no description available]medium10
nitrilotriacetic acid[no description available]medium20NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
ferric nitrilotriacetate[no description available]medium10iron chelatecarcinogenic agent;
mutagen
bms 754807[no description available]medium10pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
1,2-dichloroethylene[no description available]medium10chloroethenes
3,4-methylenedioxyethamphetamine[no description available]medium10benzodioxoles;
secondary amino compound
3,4-methylenedioxyamphetamine[no description available]medium20benzodioxoles
n-methyl-3,4-methylenedioxyamphetamine[no description available]medium30amphetamines;
benzodioxoles		neurotoxin
methamphetamine[no description available]medium30amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
fumonisin b2[no description available]medium30diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent
octadecyl palmitate[no description available]medium10hexadecanoate ester;
wax ester		coral metabolite;
cosmetic
nicosulfuron[no description available]medium10N-sulfonylurea;
pyridines;
pyrimidines		environmental contaminant;
herbicide;
xenobiotic
diethyl chlorophosphate[no description available]medium10
isoflurophate[no description available]medium10dialkyl phosphate
acid fuchsin[no description available]medium10
heme[no description available]medium60
2,2',3',4,4',5-hexachlorobiphenyl[no description available]medium10polychlorobiphenyl
methylene blue[no description available]medium50organic 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
2-chlorophenol[no description available]medium102-halophenol;
monochlorophenol
goethite[no description available]medium10
trimethylolpropane trimethacrylate[no description available]medium10carbonyl compound
lithium hydroxide[no description available]medium10alkali metal hydroxide
mannitol[no description available]medium10mannitolallergen;
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
duloxetine hydrochloride[no description available]medium10duloxetine hydrochlorideantidepressant
sifuvirtide[no description available]medium10
prohexadione-ca[no description available]medium10
cyanuric acid[no description available]medium101,3,5-triazinanes;
1,3,5-triazines;
heteroaryl hydroxy compound		xenobiotic
cyromazine[no description available]medium30triamino-1,3,5-triazinemouse metabolite;
triazine insecticide
lumiflavin[no description available]medium10flavin
rosiglitazone[no description available]medium10acetate ester;
coumarins;
diester		pro-angiogenic agent;
radical scavenger
quinone[no description available]medium601,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
sarafloxacin[no description available]medium30quinolines
ciprofloxacin[no description available]medium60aminoquinoline;
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
aluminum oxide[no description available]medium50
oxolinic acid[no description available]medium30aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor
potassium iodide[no description available]medium20potassium saltexpectorant;
radical scavenger
1-methylindole[no description available]medium10
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline[no description available]medium20aromatic amine;
imidazoquinoxaline		carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen
methyl parathion[no description available]medium20C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
procymidone[no description available]medium20
endosulfan[no description available]medium20cyclic sulfite ester;
cyclodiene organochlorine insecticide		acaricide;
agrochemical;
GABA-gated chloride channel antagonist;
persistent organic pollutant
bms 708163[no description available]medium20oxadiazole;
ring assembly
fructooligosaccharide[no description available]medium10oligosaccharide
n-dodecane[no description available]medium20alkaneplant metabolite
solanesol[no description available]medium10nonaprenol;
primary alcohol		plant metabolite
4-cyanobenzoic acid[no description available]medium10
1,1-diphenylethylene[no description available]medium10
methylcyclohexane[no description available]medium10cycloalkane;
volatile organic compound		aprotic solvent;
human metabolite;
plant metabolite
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]medium10hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]medium20imidazopyridine;
primary amino compound		carcinogenic agent;
mutagen
lomustine[no description available]medium10N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
deoxycholic acid[no description available]medium50bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite
thymoquinone[no description available]medium101,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
lansoprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
citral[no description available]medium10enal;
monoterpenoid;
polyprenal		plant metabolite;
volatile oil component
hydroxycitronellal[no description available]medium10tertiary alcoholallergen;
fragrance
digitonin[no description available]medium10
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
gitoxin[no description available]medium10cardenolide glycoside
digoxin[no description available]medium30cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
limonene[no description available]medium10cycloalkene;
p-menthadiene		human metabolite
octylonium[no description available]medium10benzamides
potassium fluoride[no description available]medium10fluoride salt;
potassium salt		NMR chemical shift reference compound;
poison
octadecane[no description available]medium10long-chain alkanebacterial metabolite;
plant metabolite
cefazedone[no description available]medium114-pyridones;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiadiazoles		antibacterial drug
cefazolin[no description available]medium21beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
gambogic acid[no description available]medium10pyranoxanthonesmetabolite
10-hydroxygambogic acid[no description available]medium10
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
lovastatin[no description available]medium30delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
copper sulfate[no description available]medium10metal sulfateemetic;
fertilizer;
sensitiser
1,8-diazabicyclo(5.4.0)undec-7-ene[no description available]medium10
oxaceprol[no description available]medium10
hydroxyproline[no description available]medium104-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite
1,2-dipalmitoylphosphatidylcholine[no description available]medium30
neocuproine[no description available]medium10phenanthrolineschelator;
copper chelator
2,6-dimethoxybenzoic acid[no description available]medium10benzenes;
carbonyl compound
threonine[no description available]medium20amino 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
delanzomib[no description available]medium10C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
1,2-dimethylimidazole[no description available]medium10imidazoles
trimethyl phosphite[no description available]medium10organophosphorus compoundalkylating agent
phosphites[no description available]medium20phosphite ion;
trivalent inorganic anion
propionic acid[no description available]medium10saturated fatty acid;
short-chain fatty acid		antifungal drug
busulfan[no description available]medium10methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
n-methylpyrrolidone[no description available]medium20lactam;
N-alkylpyrrolidine;
pyrrolidin-2-ones		polar aprotic solvent
fluorescamine[no description available]medium20
vesamicol[no description available]medium10piperidines
2-(4-(6-chloro-1,3-benzoxazol-2-yloxy)phenoxy)-2'-fluoro-n-methylpropionanilide[no description available]medium102-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamideEC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
beta-endorphin[no description available]medium40
nitrovin[no description available]medium10C-nitro compound;
furans
lysophosphatidylcholines[no description available]medium301-O-acyl-sn-glycero-3-phosphocholine
perfluorohexanesulfonic acid[no description available]medium10perfluoroalkanesulfonic acid
cilostazol[no description available]medium20lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
dapagliflozin[no description available]medium10aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
15-crown-5[no description available]medium30crown ether;
saturated organic heteromonocyclic parent
12-crown-4[no description available]medium10crown ether;
saturated organic heteromonocyclic parent
meclizine[no description available]medium10diarylmethane
flunarizine[no description available]medium10diarylmethane
nitrosonium tetrafluoroborate[no description available]medium10
oxophenylarsine[no description available]medium10arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
vasotocin[no description available]medium10
pituitrin[no description available]medium10
mannich bases[no description available]medium20
stannic chloride[no description available]medium20
zithromax[no description available]medium20macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
indigo carmine[no description available]medium10
indirubin[no description available]medium10
6,6'-dibromoindigo[no description available]medium10
trifluralin[no description available]medium30(trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
monobromobimane[no description available]medium10organobromine compound;
pyrazolopyrazole		fluorochrome
angiotensin ii[no description available]medium40amino acid zwitterion;
angiotensin II		human metabolite
bismuth[no description available]medium20metal atom;
pnictogen
bismuth iodide[no description available]medium10
4,4'-bipyridyl[no description available]medium10bipyridine
methyl nitrite[no description available]medium10
n(6),n(6)-dimethyladenine[no description available]medium10tertiary amine
phenethylamine[no description available]medium20alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
octopamine[no description available]medium10phenylethanolamines;
tyramines		neurotransmitter
spermine[no description available]medium10polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent
leuprolide[no description available]medium10oligopeptideanti-estrogen;
antineoplastic agent;
gonadotropin releasing hormone agonist
dimethyl sulfone[no description available]medium20sulfone
phosphorus[no description available]medium30monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
n-acetyl-4-benzoquinoneimine[no description available]medium10ketoimine;
quinone imine
pentafluorobenzyl bromide[no description available]medium10benzyl bromides;
fluorobenzenes
albiflorin[no description available]medium10benzoate ester;
beta-D-glucoside;
bridged compound;
gamma-lactone;
monoterpene glycoside;
secondary alcohol		neuroprotective agent;
plant metabolite
acetyl coenzyme a[no description available]medium10acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
malonyl coenzyme a[no description available]medium20malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
1-(2-pyridylazo)-2-naphthol[no description available]medium10
6-thioguanosine[no description available]medium10purine nucleoside
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
lurasidone hydrochloride[no description available]medium10hydrochlorideadrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
clozapine[no description available]medium10benzodiazepine;
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
tetrabutylammonium chloride[no description available]medium20organic chloride salt;
tetrabutylammonium salt
bumetanide[no description available]medium20amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
zinc tetraphenylporphyrin[no description available]medium10
lignin[no description available]medium10
vasoactive intestinal peptide[no description available]medium10
flubendiamide[no description available]medium10organofluorine insecticideryanodine receptor modulator
thiazolidines[no description available]medium30thiazolidine
cumene hydroperoxide[no description available]medium10peroxolenvironmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent
pyrachlostrobin[no description available]medium20aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles		antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic
diethylene glycol[no description available]medium10hydroxyether
triethylene glycol[no description available]medium10diol;
poly(ethylene glycol);
primary alcohol		plasticiser
1-dodecyl-3-methylimidazolium[no description available]medium101-alkyl-3-methylimidazolium
boron trichloride[no description available]medium10
propionaldehyde[no description available]medium20alpha-CH2-containing aldehyde;
propanals		Escherichia coli metabolite
phenylisothiocyanate[no description available]medium40isothiocyanateallergen;
reagent
succinonitrile[no description available]medium10
acetyl chloride[no description available]medium10acyl chloride
tetrahydropyrimidinone[no description available]medium10
2,4,6-tri-tert-butylphenol[no description available]medium10
2,4,6-trimethylphenol[no description available]medium10hydroxytoluene
2,6-di-tert-butyl-4-hydroxymethylphenol[no description available]medium10alkylbenzene
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
hesperidin[no description available]medium203'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
eriocitrin[no description available]medium203'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant
ramifenazone[no description available]medium10pyrazoles;
ring assembly
firocoxib[no description available]medium10butenolide;
cyclopropanes;
enol ether;
sulfone		antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
merocyanine dye[no description available]medium20
thioxanthone[no description available]medium30
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
limestone[no description available]medium10calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent
hydroxylamine[no description available]medium20hydroxylaminesalgal 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
isatin[no description available]medium10indoledioneEC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
9-mesityl-10-methylacridinium[no description available]medium10
zinc chloride[no description available]medium10inorganic chloride;
zinc molecular entity		astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid
tocopheroxy radical[no description available]medium20tocopherol
trifluoroacetic anhydride[no description available]medium10
(3-mercaptopropyl)trimethoxysilane[no description available]medium10
pseudoephedrine[no description available]medium31phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
vitamin b 12[no description available]medium20
n-methylpiperidine[no description available]medium10
methylparaben[no description available]medium60parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
praziquantel[no description available]medium20isoquinolines
sebacic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite
4-cyano-n,n-dimethylaniline[no description available]medium10
ethoxyquin[no description available]medium20aromatic ether;
quinolines		antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator
raloxifene hydrochloride[no description available]medium10hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
epicocconone[no description available]medium10organic heterotricyclic compoundfluorochrome
zerumbone[no description available]medium10cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
norbuprenorphine[no description available]medium10phenanthrenes
methadone[no description available]medium20benzenes;
diarylmethane;
ketone;
tertiary amino compound
buprenorphine[no description available]medium10morphinane alkaloiddelta-opioid receptor antagonist;
kappa-opioid receptor antagonist;
mu-opioid receptor agonist;
opioid analgesic
naloxone[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
3,4-dimethoxyphenylacetonitrile[no description available]medium10
metoprolol[no description available]medium60aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
ropivacaine[no description available]medium20piperidinecarboxamide;
ropivacaine		local anaesthetic
aldrin[no description available]medium10
4-hydroxycyclophosphamide[no description available]medium10nitrogen mustard;
organochlorine compound;
phosphorodiamide		alkylating agent;
metabolite
ribose[no description available]medium20D-ribose;
ribopyranose
arabinose[no description available]medium10L-arabinoseEscherichia coli metabolite;
mouse metabolite
galactose[no description available]medium30D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
azomycin[no description available]medium20C-nitro compound;
imidazoles		antitubercular agent
xanthone[no description available]medium10xanthonesinsecticide
esculetin[no description available]medium20hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
ochratoxin b[no description available]medium20isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite
naphthalimides[no description available]medium20
peridinin[no description available]medium10
nitrofurantoin[no description available]medium10imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
alpha-carboline[no description available]medium10pyridoindole
2,2,6,6-tetramethylpiperidine-n-oxide-4-amino-4-carboxylic acid[no description available]medium10aminoxyls;
piperidinemonocarboxylic acid
triethylenediamine[no description available]medium10bridged compound;
diamine;
saturated organic heterobicyclic parent;
tertiary amino compound		antioxidant;
catalyst;
reagent
1,5-diazabicyclo(4.3.0)non-5-ene[no description available]medium10pyrrolopyrimidine
lithium chloride[no description available]medium20inorganic chloride;
lithium salt		antimanic drug;
geroprotector
glycidyl methacrylate[no description available]medium20enoate ester;
epoxide
1,4-phenylene diisocyanide[no description available]medium10
10-n-nonylacridinium orange[no description available]medium10
atractylenolide i[no description available]medium10
buspirone[no description available]medium20azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
ofloxacin[no description available]medium603-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
tricarballylic acid[no description available]medium10tricarboxylic acid
2-cyclohexen-1-one[no description available]medium10cyclohexenone
4-stilbazole[no description available]medium10
sodium carbonate[no description available]medium10carbonate salt;
organic sodium salt
benzofurazan[no description available]medium10benzoxadiazole
2-fluorophenol[no description available]medium10
dodecylamine[no description available]medium10primary aliphatic amine
fusidic acid[no description available]medium1011alpha-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
taurine[no description available]medium40amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole[no description available]medium50
triacetin[no description available]medium20triglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
mandelic acid[no description available]medium102-hydroxy monocarboxylic acid;
benzenes		antibacterial agent;
human xenobiotic metabolite
methyl mandelate[no description available]medium10benzenes
nadp[no description available]medium60
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenylthiourea[no description available]medium10thioureasEC 1.14.18.1 (tyrosinase) inhibitor
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
coumarin 314[no description available]medium107-aminocoumarins;
ethyl ester		fluorochrome
stannic oxide[no description available]medium10tin oxide
n,n'-diphenyl-4-phenylenediamine[no description available]medium20N-substituted diamine;
secondary amino compound		antioxidant
cyhalofop-butyl[no description available]medium10aromatic ether
vanadates[no description available]medium10trivalent 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
bumadizone[no description available]medium10carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug
molybdate ion[no description available]medium10divalent inorganic anion;
molybdenum oxoanion		Escherichia coli metabolite
1,4-dinitrobenzene[no description available]medium10dinitrobenzene
triacetone triperoxide[no description available]medium10
atazanavir sulfate[no description available]medium21organic sulfate salt
indinavir sulfate[no description available]medium21dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
7-hydroxyflavone[no description available]medium10hydroxyflavonoid
cefuroxime[no description available]medium10carbamate ester;
cephalosporin
cefuroxime lysine[no description available]medium10
oxymetholone[no description available]medium10
ubiquinol[no description available]medium10polyprenylhydroquinone;
ubiquinol		biomarker;
metabolite
fluorescein[no description available]medium302-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium
propofol[no description available]medium30phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
6-aminoquinolyl-n-hydroxysuccinimidyl carbamate[no description available]medium20
nobiletin[no description available]medium10methoxyflavoneantineoplastic agent;
plant metabolite
carisoprodol[no description available]medium10carbamate estermuscle relaxant
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cloxacillin[no description available]medium30penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
4-(3-isothiocyanatopyrrolidin-1-yl)-7-(n,n-dimethylaminosulfonyl)-2,1,3-benzoxadiazole[no description available]medium10
deferasirox[no description available]medium10benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
aminacrine[no description available]medium20aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
harmaline[no description available]medium10harmala alkaloidoneirogen
methyldopa[no description available]medium10L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
2-chloranil[no description available]medium10
1-ethyl-3-methylimidazolium tetrafluoroborate[no description available]medium30
heptanal[no description available]medium10medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		biomarker
n-hexanal[no description available]medium20medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human urinary metabolite
benzoin[no description available]medium60benzoins;
secondary alpha-hydroxy ketone		EC 3.1.1.1 (carboxylesterase) inhibitor
2-pyrrolidone[no description available]medium10pyrrolidin-2-onesmetabolite;
polar solvent
n-hydroxysuccinimide[no description available]medium20
1-methylhydantoin[no description available]medium10imidazolidine-2,4-dionebacterial metabolite
creatine[no description available]medium10glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
cefdinir[no description available]medium10
mesalamine[no description available]medium10amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
trifluoromethanesulfonic acid[no description available]medium20one-carbon compound;
perfluoroalkanesulfonic acid
sorbitol[no description available]medium10glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
ephedrine[no description available]medium70phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
squaric acid[no description available]medium10alicyclic ketone;
carbon oxoacid		metabolite
3-hydroxychromone[no description available]medium10
hydroxymethylmethacrylate[no description available]medium10
vardenafil dihydrochloride[no description available]medium10
lignans[no description available]medium20
sotalol[no description available]medium20ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
topotecan[no description available]medium20pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
sodium nitrate[no description available]medium20inorganic nitrate salt;
inorganic sodium salt		fertilizer;
NMR chemical shift reference compound
bupropion[no description available]medium20aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
gatifloxacin[no description available]medium30N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
norfloxacin[no description available]medium40fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
delta(9)-tetrahydrocannabinolic acid[no description available]medium10benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide		anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
indican[no description available]medium10beta-D-glucoside;
exopolysaccharide;
indolyl carbohydrate
nitroaniline[no description available]medium30
danofloxacin[no description available]medium20quinolines
n-acetyltryptophan[no description available]medium10N-acetyl-amino acid;
tryptophan derivative		metabolite
sinigrin[no description available]medium10alkenylglucosinolic acid
pantoprazole[no description available]medium40aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
hypoxanthine[no description available]medium10nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
4-vinylphenyl boronic acid[no description available]medium20
artemisin[no description available]medium10
pyridoxine[no description available]medium30hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pantothenic acid[no description available]medium10pantothenic acid;
vitamin B5		antidote to curare poisoning;
geroprotector;
human blood serum metabolite
thiamine[no description available]medium20primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cyanine dye 3[no description available]medium10
triptolide[no description available]medium10diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
vx[no description available]medium10organic thiophosphate;
tertiary amino compound		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neurotoxin
tyrosinamide[no description available]medium10amino acid amide;
L-tyrosine derivative
l-phenylalanine ethylester[no description available]medium10
ampyrone[no description available]medium10primary amino compound;
pyrazolone		antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
glipizide[no description available]medium10aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
gliclazide[no description available]medium10N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
glyburide[no description available]medium20monochlorobenzenes;
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
gliquidone[no description available]medium10isoquinolines
aflatoxin g1[no description available]medium20
aflatoxin b[no description available]medium30aflatoxin
aflatoxin g2[no description available]medium20coumarins
1-naphthol[no description available]medium10naphtholgenotoxin;
human xenobiotic metabolite
bisphenol b[no description available]medium10bisphenol
naphazoline[no description available]medium10naphthalenes
ketamine[no description available]medium10cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
2-(3-methoxyphenyl)-2-(ethylamino)cyclohexanone[no description available]medium10
tris(2-pyridylmethyl)amine[no description available]medium10
n-methyl-n-(tert-butyldimethylsilyl)trifluoroacetamide[no description available]medium20monocarboxylic acid amide;
N-silyl compound;
trifluoroacetamide		chromatographic reagent
D-fructopyranose[no description available]medium20cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
benzyne[no description available]medium10aryne;
benzyne
corydaline[no description available]medium10isoquinoline alkaloid;
isoquinolines
jatrorrhizine[no description available]medium10alkaloid
(+-)stylopine[no description available]medium10
n,n-dimethyltryptamine[no description available]medium10tryptamine alkaloid;
tryptamines
oxyquinoline[no description available]medium20monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
cystine[no description available]medium20
fenofibric acid[no description available]medium10aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
fenofibrate[no description available]medium10aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
propylene carbonate[no description available]medium60
enalaprilat anhydrous[no description available]medium10dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
enalapril[no description available]medium20dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
felodipine[no description available]medium10dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide[no description available]medium10
phenylephrine[no description available]medium20phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
tosylarginine methyl ester[no description available]medium10guanidines;
L-arginine ester;
methyl ester;
sulfonamide
benzoylarginine ethyl ester[no description available]medium10
purine[no description available]medium10purine
4-aminoimidazole[no description available]medium10aminoimidazole
mogroside v[no description available]medium10
diethylstilbestrol[no description available]medium40olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
estriol[no description available]medium2016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
tris(2,2'-bipyridine)ruthenium iii[no description available]medium10
strontium[no description available]medium10alkaline earth metal atom
methylmalondialdehyde[no description available]medium10
tetradecyltrimethylammonium[no description available]medium10
ibuprofen[no description available]medium80monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
bekanamycin[no description available]medium10kanamycins
tobramycin[no description available]medium10amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
chlorfenvinphos[no description available]medium10dichlorobenzene;
organic phosphate;
organochlorine acaricide;
organochlorine insecticide;
organophosphate insecticide		agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
7-dehydrocholesterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite
rosmanol[no description available]medium10
salvin[no description available]medium10abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
n-methylaspartate[no description available]medium10amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent
thallium[no description available]medium10boron group element atom
fusaproliferin[no description available]medium10
aluminum chloride[no description available]medium10aluminium coordination entityLewis acid
bentazone[no description available]medium10benzothiadiazineenvironmental contaminant;
herbicide;
xenobiotic
2,4-d n-butyl ester[no description available]medium10
hydromethylthionine[no description available]medium10aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite
triethylammonium cation[no description available]medium20ammonium ion derivative
chloroterpyridineplatinum(ii)[no description available]medium10
pivaloyl chloride[no description available]medium10
gallium[no description available]medium10boron group element atom
gallium chloride[no description available]medium10
13-hydroxy-9,11-octadecadienoic acid[no description available]medium20octadecadienoic acid
hydrofluoric acid[no description available]medium20hydrogen halide;
mononuclear parent hydride		NMR chemical shift reference compound
selenious acid[no description available]medium10selenium oxoacid
beta-carboline-3-carboxylic acid methyl ester[no description available]medium10beta-carbolines
cyclonite[no description available]medium401,3,5-triazinanes;
N-nitro compound		explosive
aziridine[no description available]medium10azacycloalkane;
aziridines;
saturated organic heteromonocyclic parent		alkylating agent
saccharin[no description available]medium201,2-benzisothiazole;
N-sulfonylcarboxamide		environmental contaminant;
sweetening agent;
xenobiotic
thyroxine[no description available]medium202-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
codeine[no description available]medium50morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
bxl628[no description available]medium10
1,1'-binaphthyl-2,2'-diyl hydrogen phosphate[no description available]medium20
2,4-dihydroxybenzophenone[no description available]medium10benzophenones
4-hydroxybenzophenone[no description available]medium10benzophenones
ferric chloride[no description available]medium20iron coordination entityastringent;
Lewis acid
trenbolone acetate[no description available]medium10steroid ester
gentamicin[no description available]medium10
gentamicin c[no description available]medium10
procyanidin b2[no description available]medium10biflavonoid;
hydroxyflavan;
polyphenol;
proanthocyanidin		antioxidant;
metabolite
procyanidin[no description available]medium10proanthocyanidin
phenoxyethanol[no description available]medium10aromatic ether;
glycol ether;
primary alcohol		antiinfective agent;
central nervous system depressant
cyanazine[no description available]medium101,3,5-triazinylamino nitrile;
chloro-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
simazine[no description available]medium10chloro-1,3,5-triazine;
diamino-1,3,5-triazine		environmental contaminant;
herbicide;
xenobiotic
3-amino-5-mercapto-1,2,4-triazole[no description available]medium10
1-phenylpropanol[no description available]medium20organic molecular entity
trifluoroethylamine[no description available]medium10
benzyldihydronicotinamide[no description available]medium20
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
cytarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
methacrylonitrile[no description available]medium20
2-chloroacrylonitrile[no description available]medium20
2-pentenenitrile[no description available]medium10
1,2-o-isopropylidene-d-glucofuranose[no description available]medium10
uridine diphosphate[no description available]medium10pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride[no description available]medium10
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
danazol[no description available]medium2017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
ribavirin[no description available]medium101-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
2-chloro-1,4-dimethoxybenzene[no description available]medium10dimethoxybenzene
2,4-dichlorophenol[no description available]medium20dichlorophenol
phosphoramidite[no description available]medium30
lucanthone hydrochloride[no description available]medium10
thiamylal[no description available]medium10barbiturates;
organosulfur compound		sedative
tetramethylthiourea[no description available]medium10thioureas
3,3',4,5'-tetrahydroxystilbene[no description available]medium10catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
brucine[no description available]medium20monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
2-amino-2-methyl-1-propanol[no description available]medium10
morphinans[no description available]medium10isoquinoline alkaloid fundamental parent;
morphinane alkaloid
dextromethorphan[no description available]medium306-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
diphenhydramine hydrochloride[no description available]medium20hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
salvianolic acid B[no description available]medium101-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
n-butoxyethanol[no description available]medium10glycol ether;
primary alcohol		protic solvent
tolbutamide[no description available]medium30N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
puerarin[no description available]medium10C-glycosyl compound;
isoflavonoid
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
naproxen[no description available]medium30methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
ethyl bromoacetate[no description available]medium10
acetylcarnitine[no description available]medium10O-acylcarnitinehuman metabolite
palmitoylcarnitine[no description available]medium10O-palmitoylcarnitine;
saturated fatty acyl-L-carnitine		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite
4'-bromophenacyl triflate[no description available]medium10
stearic acid[no description available]medium30long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
methylmercaptan[no description available]medium10alkanethiolhuman metabolite;
Saccharomyces cerevisiae metabolite
dimethyl disulfide[no description available]medium10organic disulfidexenobiotic metabolite
cerium[no description available]medium40f-block element atom;
lanthanoid atom
amiloride[no description available]medium10aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
2,2'-azobis(2,4-dimethylvaleronitrile)[no description available]medium40
fraxin[no description available]medium10aromatic ether;
beta-D-glucoside;
hydroxycoumarin		anti-inflammatory agent;
hepatoprotective agent;
plant metabolite
esculin[no description available]medium10beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
hyperolactone c[no description available]medium10
helium[no description available]medium10monoatomic helium;
noble gas atom;
s-block element atom		food packaging gas
2-amino-3,4-dimethylimidazo(4,5-f)quinoline[no description available]medium10aminoquinoline
2-amino-9h-pyrido(2,3-b)indole[no description available]medium10pyridoindole
2-amino-3-methylimidazo(4,5-f)quinoline[no description available]medium10imidazoquinolinecarcinogenic agent
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
harman[no description available]medium10harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
hexestrol[no description available]medium10stilbenoid
dienestrol[no description available]medium10
tetramethylammonium[no description available]medium30quaternary ammonium ion
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
sodium benzoate[no description available]medium20organic 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
arctiin[no description available]medium10glycoside;
lignan
bupivacaine[no description available]medium20aromatic amide;
piperidinecarboxamide;
tertiary amino compound
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
benzo(e)pyrene[no description available]medium10ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
moniliformin[no description available]medium10
pyriproxyfen[no description available]medium10aromatic ether;
pyridines		juvenile hormone mimic
dichlorotetrakis(dimethyl sulfoxide)ruthenium ii[no description available]medium10
cinnamaldehyde[no description available]medium103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
nequinate[no description available]medium10quinolines
isonaringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
naringin[no description available]medium20(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
dimethyl sulfide[no description available]medium10aliphatic sulfidealgal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite
n-octadecyl mercaptan[no description available]medium20
3-(trimethoxysilyl)propylamine[no description available]medium10
dodecylmercaptan[no description available]medium10
n-octanethiol[no description available]medium10alkanethiol
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
sertindole[no description available]medium10heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole		alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid[no description available]medium10
carnosol[no description available]medium10diterpenoid
ecdysterone[no description available]medium1014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
pectins[no description available]medium20D-galactopyranuronic acid
pulmicort[no description available]medium2011beta-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
chlorpheniramine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
avermectin[no description available]medium20
difloxacin[no description available]medium20fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite
ciprofloxacin-7-ethylenediamine[no description available]medium10
orbifloxacin[no description available]medium10quinolines
butylscopolammonium bromide[no description available]medium10
benzo(k)fluoranthene[no description available]medium10naphthalenes
4-phenylpyridine[no description available]medium10phenylpyridine
1-methylimidazole[no description available]medium10imidazoles
scutellarein[no description available]medium10tetrahydroxyflavonemetabolite
glutaric acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite
hexafluoroisopropanol[no description available]medium40organofluorine compound;
secondary alcohol		drug metabolite
lorazepam glucuronide[no description available]medium11glucosiduronic acid
morpholine[no description available]medium10morpholines;
saturated organic heteromonocyclic parent		NMR chemical shift reference compound
metsulfuron methyl[no description available]medium101,3,5-triazines;
benzoate ester;
N-sulfonylurea		environmental contaminant;
herbicide;
xenobiotic
leucine[no description available]medium10amino 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
bianthrone[no description available]medium10
citric acid, anhydrous[no description available]medium30tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
neutral red[no description available]medium10hydrochlorideacid-base indicator;
dye;
two-colour indicator
phenylpropanolamine[no description available]medium20amphetamines;
phenethylamine alkaloid		plant metabolite
triazolam[no description available]medium10triazolobenzodiazepinesedative
bistrifluron[no description available]medium10
catechol[no description available]medium30catecholsallelochemical;
genotoxin;
plant metabolite
trioctyl phosphine oxide[no description available]medium10
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
arginyl-glycyl-aspartyl-serine[no description available]medium10
5-cyanouracil[no description available]medium10
2-amino-1-methylbenzimidazole[no description available]medium10benzimidazoles
tris(4-bromophenyl)ammoniumyl hexachloroantimonate[no description available]medium10
1-methylcytosine[no description available]medium10aminopyrimidine;
methylcytosine;
pyrimidone		metabolite
acenocoumarol[no description available]medium20C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
ytterbium[no description available]medium10f-block element atom;
lanthanoid atom
1-ethyl-3-(3-dimethylaminoethyl)carbodiimide[no description available]medium10
1-phenyl-2-propanol[no description available]medium10
valerenic acid[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
mequitazine[no description available]medium10phenothiazines
tetracyanoquinodimethane[no description available]medium40alicyclic compound;
nitrile;
quinodimethane
acrivastine[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
isomaltose[no description available]medium10
ha 1100[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium10isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
tartaric acid[no description available]medium20tartaric acidEscherichia coli metabolite
docusate[no description available]medium20diester;
organosulfonic acid
usnic acid[no description available]medium10benzofurans
l 683590[no description available]medium20ether;
lactol;
macrolide;
secondary alcohol		antifungal agent;
bacterial metabolite;
immunosuppressive agent
tacrolimus[no description available]medium30macrolide lactambacterial metabolite;
immunosuppressive agent
methyl n-butyl ketone[no description available]medium10ketone
protopine[no description available]medium10dibenzazecine alkaloidplant metabolite
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
dinitrochlorobenzene[no description available]medium10C-nitro compound;
monochlorobenzenes		allergen;
epitope;
sensitiser
mocetinostat[no description available]medium20aminopyrimidine;
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
13-oxo-9,11-octadecadienoic acid[no description available]medium1013-oxo-9,11-octadecadienoic acid;
oxo fatty acid		metabolite
13-hydroperoxy-9,11-octadecadienoic acid[no description available]medium10hydroperoxy polyunsaturated fatty acid;
octadecadienoic acid
rhamnose[no description available]medium10L-rhamnose
n-butylamine[no description available]medium20primary aliphatic amine
microcystin[no description available]medium20peptide
4,4'-azobis(4-cyanovaleric acid)[no description available]medium10
valerates[no description available]medium10short-chain fatty acid anion;
straight-chain saturated fatty acid anion		plant metabolite
desonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
cyclic ketal;
primary alpha-hydroxy ketone		anti-inflammatory drug
guazatine[no description available]medium10aliphatic nitrogen antifungal agent;
guanidines;
secondary amino compound		antifungal agrochemical
imidazolidines[no description available]medium10azacycloalkane;
imidazolidines;
saturated organic heteromonocyclic parent
dodecyltrimethylammonium[no description available]medium10quaternary ammonium ion
sinapine[no description available]medium10acylcholineantioxidant;
photosynthetic electron-transport chain inhibitor;
plant metabolite
methylcellulose[no description available]medium10
butane[no description available]medium10alkane;
gas molecular entity		food propellant;
refrigerant
1,8-bis(dimethylamino)naphthalene[no description available]medium10naphthalenes
1-naphthylamine[no description available]medium10naphthylaminehuman xenobiotic metabolite
morphine[no description available]medium40morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
cupric acetate[no description available]medium10
n-phenylformamide[no description available]medium10aromatic amide;
formamides
rhodanine[no description available]medium10thiazolidinone
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
moxidectin[no description available]medium10
benzoyl peroxide[no description available]medium20carbonyl compound
terfenadine[no description available]medium11diarylmethane
fexofenadine[no description available]medium11piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
tetraethoxysilane[no description available]medium20
octyltriethoxysilane[no description available]medium10organosilicon compound
10,11-dihydro-10,11-dihydroxy-5h-dibenzazepine-5-carboxamide[no description available]medium11dibenzoazepine
hexamethylsilazane[no description available]medium10N-silyl compoundchromatographic reagent
celecoxib[no description available]medium20organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
1,4-dimethoxybenzene[no description available]medium10dimethoxybenzene
entinostat[no description available]medium10benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
troeger's base[no description available]medium10
4-(dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4h-pyran[no description available]medium10
3-hydroxy-5-estrane-17-carbonitrile[no description available]medium10
isotretinoin[no description available]medium20retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
coenzyme q10[no description available]medium20ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
dicamba[no description available]medium10dichlorobenzene;
methoxybenzoic acid		agrochemical;
environmental contaminant;
herbicide;
synthetic auxin;
xenobiotic
ddt[no description available]medium10benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
4-chloroaniline[no description available]medium10chloroaniline;
monochlorobenzenes
chlorhexidine[no description available]medium10biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent
1,1-bis(4-hydroxyphenyl)cyclohexane[no description available]medium10diarylmethane
3-bromopyridine[no description available]medium10monobromopyridine
phenylmethanesulfonic acid[no description available]medium10
on 01210.na[no description available]medium10
nickel nitrate[no description available]medium10
5-iodoacetamidofluorescein[no description available]medium10
domperidone[no description available]medium10benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
dibenzo(a,c)phenazine[no description available]medium10
phenoxy radical[no description available]medium10organic radical
riluzole[no description available]medium10benzothiazoles
garenoxacin[no description available]medium10aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
non-steroidal anti-inflammatory drug
ruthenium chloride (rucl3)[no description available]medium10
flavoxate[no description available]medium10carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate[no description available]medium201,1-diunsubstituted alkanesulfonate
triethanolamine[no description available]medium20amino alcohol;
tertiary amino compound;
triol		buffer;
surfactant
amanitins[no description available]medium10
azaperone[no description available]medium20aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist
letrozole[no description available]medium10nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
chlorophyll d[no description available]medium10
chlorophyll b[no description available]medium10chlorophyllcofactor
alizarin[no description available]medium10dihydroxyanthraquinonechromophore;
dye;
plant metabolite
phenylpyruvic acid[no description available]medium102-oxo monocarboxylic acidchromogenic compound;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
fundamental metabolite
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
morroniside[no description available]medium10
paeonol[no description available]medium10methoxybenzenes;
phenols		metabolite
loganin[no description available]medium10beta-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
tianeptine[no description available]medium10dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
4-chloro-7-nitrobenzofuran[no description available]medium20
carbitol[no description available]medium10diether;
glycol ether;
hydroxypolyether;
primary alcohol		protic solvent
droperidol[no description available]medium10aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
e 4031[no description available]medium10sulfonamide
stearates[no description available]medium10
cephalexin[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
fropenem[no description available]medium10faropenem
suplatast tosilate[no description available]medium10
hexadimethrine bromide[no description available]medium20
glimepiride[no description available]medium10sulfonamide
cloprostenol[no description available]medium10prostanoid
ferrous chloride[no description available]medium10iron coordination entity
acridine orange[no description available]medium20aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye
radafaxine[no description available]medium10
6-hydroxytaxol[no description available]medium20taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent
2-nitrophenol[no description available]medium102-nitrophenols
teicoplanin aglycone[no description available]medium10
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
15-acetyldeoxynivalenol[no description available]medium10trichotheceneepitope;
mycotoxin
fluometuron[no description available]medium10(trifluoromethyl)benzenes;
3-(3,4-substituted-phenyl)-1,1-dimethylurea		agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
palmitoyl coenzyme a[no description available]medium2011,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate		Escherichia coli metabolite;
mouse metabolite
mepivacaine[no description available]medium10piperidinecarboxamidedrug allergen;
local anaesthetic
norcantharidin[no description available]medium10furofuran
harpagoside[no description available]medium10terpene glycoside
5,6-diamino-2,4-dihydroxypyrimidine[no description available]medium10aminouracil;
diamine;
pyrimidone
glyoxal[no description available]medium10dialdehydeagrochemical;
allergen;
pesticide;
plant growth regulator
lumazine[no description available]medium102,4-dihydroxypteridine
pyruvaldehyde[no description available]medium102-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pteridines[no description available]medium10azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
pteridines
2,6-diaminoanthraquinone[no description available]medium10
gabapentin-lactam[no description available]medium10azaspiro compound
dinitrofluorobenzene[no description available]medium10C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
shogaol[no description available]medium10enone;
monomethoxybenzene;
phenols
gingerol[no description available]medium10beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
oxyphenonium[no description available]medium10acylcholine
2-aminopyrazine[no description available]medium10pyrazines
4-isothiocyanatobenzenesulfonate[no description available]medium10
tetrathiafulvalene[no description available]medium10fulvalenes;
organosulfur heterocyclic compound
desethylamodiaquine[no description available]medium10
amodiaquine[no description available]medium10aminoquinoline;
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
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine[no description available]medium101,2,4-triazines
3-methylhistamine[no description available]medium10
ubiquinone 9[no description available]medium10ubiquinonesantioxidant;
human metabolite
1,10-phenanthroline-5,6-dione[no description available]medium10
n-hydroxyphthalimide[no description available]medium10
angiotensin ii, des-phe(8)-[no description available]medium10amino acid zwitterion;
angiotensin		vasodilator agent
hepes[no description available]medium10HEPES;
organosulfonic acid
antimony[no description available]medium10metalloid atom;
pnictogen
clopidogrel[no description available]medium11methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
ticlopidine[no description available]medium21monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
corilagin[no description available]medium10ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug
fullerene c60[no description available]medium20fullerenegeroprotector
ethyldimethylaminopropyl carbodiimide[no description available]medium10
thionyl chloride[no description available]medium10chlorine molecular entity;
sulfinyl halide
1-hydroxybenzotriazole[no description available]medium10benzotriazoles
etodolac[no description available]medium10monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
arachidonyl-coenzyme a[no description available]medium10arachidonoyl bioconjugate;
unsaturated fatty acyl-CoA
methylene iodide[no description available]medium10
2-hydroxy-7-nitrofluorene[no description available]medium10
2-amino-7-nitrofluorene[no description available]medium10
4-aminophthalimide[no description available]medium10
1-(3-chlorophenyl)piperazine[no description available]medium10monochlorobenzenes;
N-arylpiperazine		drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
trazodone[no description available]medium20monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
tributylamine[no description available]medium10tertiary amine
4-cyano-4'-pentylbiphenyl[no description available]medium10
plagiochin e[no description available]medium10
carbamylhydrazine[no description available]medium20carbohydrazide;
monocarboxylic acid amide;
one-carbon compound;
ureas
lomefloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
citalopram[no description available]medium202-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
musk tibetine[no description available]medium10
potassium nitrate[no description available]medium10inorganic nitrate salt;
potassium salt		fertilizer
pentaerythritol tetranitrate[no description available]medium10pentaerythritol nitrateexplosive;
vasodilator agent
isosorbide dinitrate[no description available]medium10glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
nitroglycerin[no description available]medium10nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
p-dimethylaminoazobenzene[no description available]medium10azobenzenes
thiohydantoins[no description available]medium10
dabth[no description available]medium10
dibenzo-18-crown-6[no description available]medium10benzenes;
crown ether		phase-transfer catalyst
4-bromomethyl-7-acetoxycoumarin[no description available]medium10
lasalocid[no description available]medium10beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
cellobiose[no description available]medium10cellobioseepitope
cellobiosyl fluoride[no description available]medium10
4-amino-4,6-dideoxymannose[no description available]medium10deoxymannose derivative;
mannosamine
mannose[no description available]medium20D-aldohexose;
D-mannose;
mannopyranose		metabolite
1-(9-fluorenyl)ethyl chloroformate[no description available]medium10
cyclolinopeptide a[no description available]medium10
am 580[no description available]medium10amidobenzoic acid;
tetralins		antineoplastic agent;
retinoic acid receptor alpha/beta agonist
verapamil[no description available]medium30aromatic ether;
nitrile;
polyether;
tertiary amino compound
norverapamil[no description available]medium20aromatic ether;
nitrile;
polyether;
secondary amino compound
sodium chlorate[no description available]medium10chlorate salt;
inorganic sodium salt		herbicide
chlorates[no description available]medium10chlorine oxoanion;
monovalent inorganic anion
methyleugenol[no description available]medium10phenylpropanoid
2'-deoxyguanosine 5'-phosphate[no description available]medium20deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite
potassium superoxide[no description available]medium10
fluvoxamine[no description available]medium10(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
aspartame[no description available]medium10carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester		apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic
fullerene c70[no description available]medium10fullerene
felbamate[no description available]medium10carbamate esteranticonvulsant;
neuroprotective agent
peroxynitric acid[no description available]medium10nitrogen oxoacid
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]medium10chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
2,5-hexanedione[no description available]medium10diketone;
methyl ketone		human xenobiotic metabolite;
neurotoxin
dmp 728[no description available]medium10
7 alpha-hydroxy-4-cholesten-3-one[no description available]medium103-oxo-Delta(4) steroid;
7alpha-hydroxy steroid;
cholestanoid		human metabolite;
mouse metabolite
retinol[no description available]medium40retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
amphetamine[no description available]medium20primary amine
2',6'-pipecoloxylidide[no description available]medium10amino acid amide
4'-hydroxybupivacaine[no description available]medium10
centchroman[no description available]medium10
nicardipine[no description available]medium10benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
alprazolam[no description available]medium20organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
chlorambucil[no description available]medium10aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
9-fluoreneacetic acid[no description available]medium10
simmondsin[no description available]medium10glycoside
genistin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside
rhoifolin[no description available]medium10dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
daidzin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
2-thioxo-4-thiazolidinecarboxylic acid[no description available]medium10organonitrogen compound;
organooxygen compound
u 74006f[no description available]medium10corticosteroid hormone
u 89678[no description available]medium10
1-hexadecyl-2-acetyl-glycero-3-phosphocholine[no description available]medium102-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent
pentafluoropropionic anhydride[no description available]medium10
debrisoquin[no description available]medium10carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
4-hydroxydebrisoquin[no description available]medium10carboxamidine;
isoquinolines;
secondary alcohol		metabolite
bicinchoninic acid[no description available]medium20
ethylnitrosourea[no description available]medium10N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen
n-nitrosobutylurea[no description available]medium10
sodium sulfide[no description available]medium10
n-acetyl-1-aminopyrene[no description available]medium10
1-nitrosopyrene[no description available]medium10
1-aminopyrene[no description available]medium10
1-nitropyrene[no description available]medium10nitroarenecarcinogenic agent
diltiazem[no description available]medium105-[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
nebularine[no description available]medium10purine ribonucleoside;
purines D-ribonucleoside		fungal metabolite
neuropeptide y[no description available]medium10
neuropeptide y (18-36)[no description available]medium10
4-hydroxycoumarin[no description available]medium10hydroxycoumarin
pyridoxal phosphate[no description available]medium20methylpyridines;
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
fibrinogen[no description available]medium10iditolfungal metabolite
phenylalanyl-prolyl-arginine-chloromethyl ketone[no description available]medium10
proxicromil[no description available]medium10
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
bosentan anhydrous[no description available]medium10primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
methionine sulfoxide[no description available]medium10amino acid zwitterion;
L-methionine S-oxide		Escherichia coli metabolite
n-nitrosodiphenylamine[no description available]medium10phenylhydrazines
ouabain[no description available]medium1011alpha-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
glycolic acid[no description available]medium102-hydroxy monocarboxylic acid;
primary alcohol		keratolytic drug;
metabolite
metaperiodate[no description available]medium10iodine oxoacid
calcitriol[no description available]medium20D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
metaperiodate[no description available]medium10iodine oxoanion;
monovalent inorganic anion
acetonitrile anion[no description available]medium10
arachidonic acid[no description available]medium20icosa-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
4-fluorohexahydrosiladifenidol[no description available]medium10
amrinone[no description available]medium10bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
florisil[no description available]medium20
poloxalene[no description available]medium10epoxide
ethosuximide[no description available]medium10dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
ethyl 2-cyanoacrylate[no description available]medium10
dmp 450[no description available]medium10
beta-hydroxy-beta-ethyl-phenylpropionamide[no description available]medium10
cefadroxil anhydrous[no description available]medium10cephalosporinantibacterial drug
7-hydroxymethotrexate[no description available]medium10folic acids
bromophenophos[no description available]medium10
oxyclozanide[no description available]medium10
tribromsalan[no description available]medium10salicylanilides
bithionol[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
dichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
pirlimycin[no description available]medium10
3'-p-hydroxypaclitaxel[no description available]medium10
8-chlorotheophylline[no description available]medium10organochlorine compound;
purines		central nervous system stimulant
o(6)-benzylguanine[no description available]medium10
enkephalin, d-penicillamine (2,5)-[no description available]medium10heterodetic cyclic peptidedelta-opioid receptor agonist
hydroxyzine[no description available]medium10hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
lycopene[no description available]medium10acyclic caroteneantioxidant;
plant metabolite
melengestrol acetate[no description available]medium10corticosteroid hormone
chlormadinone acetate[no description available]medium10corticosteroid hormone
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
5,5'-bis(8-(phenylamino)-1-naphthalenesulfonate)[no description available]medium10
4-aminobenzoic acid[no description available]medium20aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
clarithromycin[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
brequinar[no description available]medium10biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
noribogaine[no description available]medium10monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
secondary amino compound;
tertiary amino compound		kappa-opioid receptor agonist;
NMDA receptor antagonist;
psychotropic drug;
serotonin uptake inhibitor
ibogaine[no description available]medium10
tiaramide[no description available]medium10benzothiazoles
diphenoxylate[no description available]medium10ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
atropine[no description available]medium20
tricyclazole[no description available]medium10triazolobenzothiazoleantifungal agrochemical;
melanin synthesis inhibitor
permethrin[no description available]medium10cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
cyhalothrin[no description available]medium10aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
fluvalinate[no description available]medium10(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
fenpropathrin, (+-)-isomer[no description available]medium10aromatic ether;
cyclopropanecarboxylate ester		agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide
sodium borate[no description available]medium10
ninhydrin[no description available]medium10aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite
argininal[no description available]medium10
heparitin sulfate[no description available]medium10
enkephalin, methionine[no description available]medium10
propiomazine[no description available]medium10aromatic ketone;
phenothiazines;
tertiary amino compound		dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
sedative;
serotonergic antagonist
lypressin[no description available]medium10cyclic peptide
felypressin[no description available]medium10heterodetic cyclic peptidevasoconstrictor agent;
vasopressin receptor agonist
4-oxoretinoic acid[no description available]medium10enone;
retinoid		human xenobiotic metabolite
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
artenimol[no description available]medium10
lurtotecan[no description available]medium20
dehydroepiandrosterone[no description available]medium2017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
estradiol-6-(o-carboxymethyl)oxime[no description available]medium10
6-o-monoacetylmorphine[no description available]medium10morphinane alkaloid
heroin[no description available]medium10morphinane alkaloidmu-opioid receptor agonist;
opioid analgesic;
prodrug
gamma-linolenic acid[no description available]medium10linolenic acid;
omega-6 fatty acid		human metabolite;
mouse metabolite;
plant metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid[no description available]medium10HPETEhuman xenobiotic metabolite
(nitrilotris(methylene))triphosphonic acid[no description available]medium10phosphonoacetic acid
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
(ethylenedinitrilo)-tetramethylenephosphonic acid[no description available]medium10
diethylenetriaminepenta(methylenephosphonic) acid[no description available]medium10
thalidomide[no description available]medium10phthalimides;
piperidones
butyric acid[no description available]medium10fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
bisphenol a-glycidyl methacrylate[no description available]medium10diarylmethane
triethylene glycol dimethacrylate[no description available]medium10
chitosan[no description available]medium10
ethacrynic acid[no description available]medium10aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
arbutin[no description available]medium10beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
dioleoyl phosphatidylethanolamine[no description available]medium10phosphatidylethanolamine
sincalide[no description available]medium10oligopeptide
cholecystokinin[no description available]medium20
v 70[no description available]medium10
iodamide[no description available]medium10benzoic acids;
organoiodine compound		radioopaque medium
dynorphin a, destyr(1)-destrp(14)-desasp(15)-desasn(16)-desglu(17)-[no description available]medium10
dynorphin a(1-12)[no description available]medium10
dynorphins[no description available]medium10
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
cremophor el[no description available]medium10
methylene violet[no description available]medium10
naringenin[no description available]medium10(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
20-alpha-dihydroprogesterone[no description available]medium1020-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
norethindrone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
17-alpha-hydroxyprogesterone[no description available]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
lamotrigine[no description available]medium111,2,4-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
alprenolol[no description available]medium10secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
pindolol[no description available]medium20indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
acebutolol[no description available]medium10aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
oxprenolol[no description available]medium10aromatic ether
octogen[no description available]medium10N-nitro compound;
tetrazocane		explosive
chloroquine[no description available]medium20aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
beta-lysine[no description available]medium10
calcipotriene[no description available]medium10hydrateantipsoriatic
benzyl cyanide[no description available]medium10benzenes;
nitrile		animal metabolite;
pheromone
4-nitrophenyl alpha-glucoside[no description available]medium10alpha-D-glucoside;
C-nitro compound;
monosaccharide derivative		chromogenic compound
flumequine[no description available]medium103-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic
fleroxacin[no description available]medium10difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
enoxacin[no description available]medium101,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
4-hydroxyifosfamide[no description available]medium10ifosfamides
ifosfamide[no description available]medium10ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
iothalamic acid[no description available]medium10organic molecular entity
4-acetylaminohippuric acid[no description available]medium10
paraquat[no description available]medium20organic cationgeroprotector;
herbicide
acetic anhydride[no description available]medium10acyclic carboxylic anhydridemetabolite;
reagent
1,2,4-triazole[no description available]medium101,2,4-triazole
n-methylephedrine[no description available]medium10amphetamines
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
benzphetamine[no description available]medium10amphetamines;
tertiary amine		adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
pirlindole[no description available]medium10carbazoles
3,3a-dehydropyrazidol[no description available]medium10
salicylurate[no description available]medium10N-acylglycine;
secondary carboxamide		human xenobiotic metabolite;
uremic toxin
erythritol[no description available]medium10butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
dextromoramide[no description available]medium10morpholines;
N-acylpyrrolidine		opioid analgesic
ammonium bromide[no description available]medium10ammonium salt;
bromide salt		NMR chemical shift reference compound
potassium acetate[no description available]medium10potassium saltfood acidity regulator
ammonium chloride[no description available]medium20ammonium salt;
inorganic chloride		ferroptosis inhibitor
levorphanol[no description available]medium10morphinane alkaloid
methylformamide[no description available]medium20formamides
imipramine n-oxide[no description available]medium10dibenzooxazepine
tolfenamic acid[no description available]medium10aminobenzoic acid;
organochlorine compound;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
7-methoxytacrine[no description available]medium10
glycarbylamide[no description available]medium10
lactose[no description available]medium10lactose
acetylcellulose[no description available]medium10
selegiline[no description available]medium10selegiline;
terminal acetylenic compound		geroprotector
phalloidine[no description available]medium10homodetic cyclic peptide
antamanide[no description available]medium10
potassium cyanide[no description available]medium20cyanide salt;
one-carbon compound;
potassium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin
gamma-cyclodextrin[no description available]medium30cyclodextrin
alpha-glutamyltryptophan[no description available]medium10dipeptideangiogenesis modulating agent;
antineoplastic agent;
immunomodulator;
metabolite
azaperol[no description available]medium10
bromoacetate[no description available]medium10carboxylic acid;
organohalogen compound
chloroacetic acid[no description available]medium10chlorocarboxylic acid;
haloacetic acid		alkylating agent;
herbicide
imazethapyr[no description available]medium10aromatic carboxylic acid;
pyridines
glucagon[no description available]medium10peptide hormone
n-acetylphenylalanine ethyl ester[no description available]medium10
oxybutynin[no description available]medium10acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
flunitrazepam[no description available]medium201,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
alpha-naphthoflavone[no description available]medium10extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
dithianone[no description available]medium10dinitrile;
naphthodithiin;
p-quinones		antifungal agrochemical
menthyl chloroformate[no description available]medium10
3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide[no description available]medium10
5-methyltetrahydrofolate[no description available]medium10
levoleucovorin[no description available]medium105-formyltetrahydrofolic acidantineoplastic agent;
metabolite
5,6,7,8-tetrahydrofolic acid[no description available]medium10tetrahydrofolic acid
irganox 1076[no description available]medium10
nystatin a1[no description available]medium10nystatins
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
cyclopropane[no description available]medium10cycloalkane;
cyclopropanes		inhalation anaesthetic
nosiheptide[no description available]medium10polyol
florfenicol amine[no description available]medium10
n-butyronitrile[no description available]medium10aliphatic nitrile
allyl cyanide[no description available]medium20aliphatic nitrile;
olefinic compound		antifeedant;
neurotoxin;
plant metabolite
sodium cyanide[no description available]medium10cyanide salt;
one-carbon compound;
sodium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor
crotononitrile[no description available]medium10nitrile
artelinic acid[no description available]medium10
artesunic acid[no description available]medium10
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
homovanillic acid[no description available]medium20guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
lithocholic acid[no description available]medium10bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
metallothionein[no description available]medium20
iohexol[no description available]medium20benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
gallocatechol[no description available]medium10gallocatechinantioxidant;
metabolite;
radical scavenger
epicatechin gallate[no description available]medium10catechin;
gallate ester;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
gallocatechin-3-gallate[no description available]medium10catechin;
gallate ester;
polyphenol		plant metabolite
catechin gallate[no description available]medium10flavans;
gallate ester;
polyphenol		metabolite
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
decalin[no description available]medium10ortho-fused bicyclic hydrocarbonsolvent
pseudohypericin[no description available]medium10
hypericin[no description available]medium10
hyperforin[no description available]medium10
phloroglucinol[no description available]medium10benzenetriol;
phenolic donor		algal metabolite
tryptophan octyl ester[no description available]medium10
tanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
4-coumaroyl-coenzyme a[no description available]medium104-coumaroyl-CoA
s-adenosylmethionine[no description available]medium10organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
feruloyl-coa[no description available]medium10feruloyl-CoA(4-)
caffeoyl-coenzyme a[no description available]medium10
shikonin[no description available]medium10hydroxy-1,4-naphthoquinone
naphthazarin[no description available]medium10hydroxy-1,4-naphthoquinoneacaricide;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
geroprotector;
plant metabolite
anthraquinone sulfonate[no description available]medium10
guanidine thiocyanate[no description available]medium10
pyridoxal[no description available]medium10hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxamine[no description available]medium10aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
pyridoxamine phosphate[no description available]medium10aminoalkylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 phosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
aminopropionitrile[no description available]medium20aminopropionitrileantineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite
sodium iodate[no description available]medium10organic molecular entity
4-methylcatechol[no description available]medium10methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
lysine tyrosylquinone[no description available]medium101,2-benzoquinones;
L-lysine derivative;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
captafol[no description available]medium10isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide		antifungal agrochemical
captan[no description available]medium10isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide		antifungal agrochemical
aminoimidazole carboxamide[no description available]medium10aminoimidazole;
monocarboxylic acid amide		mouse metabolite
iprodione[no description available]medium10benzenes;
dichlorophenyl dicarboximide fungicide;
imidazole fungicide;
imidazolidine-2,4-dione;
ureas		antifungal agrochemical;
nematicide
vinclozolin[no description available]medium10dicarboximide;
dichlorobenzene;
olefinic compound;
oxazolidinone
folpet[no description available]medium10organochlorine compound;
organosulfur compound;
phthalimide fungicide		antifungal agrochemical
1-phenyl-5-mercaptotetrazole[no description available]medium10tetrazoles
ro 31-8220[no description available]medium10imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor
endothelin-1[no description available]medium10
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
tiaprofenic acid[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
sulindac[no description available]medium10monocarboxylic 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
galactomannan[no description available]medium10oligosaccharide
mannans[no description available]medium10
syringaldazine[no description available]medium10
cerous chloride[no description available]medium10cerium coordination entity
fenfluramine[no description available]medium10(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
tamoxifen[no description available]medium10stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
clonixin[no description available]medium10aminopyridine;
organochlorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
vasodilator agent
flunixin[no description available]medium10aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
dehydroascorbic acid[no description available]medium10dehydroascorbic acid;
vitamin C		coenzyme;
mouse metabolite
2-chloroethyl ethyl sulfide[no description available]medium10
spiraeoside[no description available]medium10beta-D-glucoside;
flavonols;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
plant metabolite
s-nitrosomercaptoethanol[no description available]medium10
alpha-synuclein[no description available]medium10
1,2-benzisoxazole[no description available]medium101,2-benzoxazoles;
mancude organic heterobicyclic parent
coproporphyrin i[no description available]medium10
zinc coproporphyrin iii[no description available]medium10
1,2-dioxetane[no description available]medium10
potassium chloride[no description available]medium20inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
clotrimazole[no description available]medium10conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
clay[no description available]medium10
methylisonitrile[no description available]medium10isocyanide
6-carboxyfluorescein[no description available]medium10monocarboxylic acid
sulfamic acid[no description available]medium10sulfamic acids
acid phosphatase[no description available]medium10
prolinamide[no description available]medium10amino acid amide;
L-proline derivative;
pyrrolidinecarboxamide
indole-3-lactic acid[no description available]medium10hydroxy monocarboxylic acid;
indol-3-yl carboxylic acid		human metabolite
perflexane[no description available]medium10fluoroalkane;
fluorocarbon;
volatile organic compound		non-polar solvent;
radioopaque medium
acifluorfen[no description available]medium10aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
ht-2 toxin[no description available]medium10
thuringiensin[no description available]medium10
perphenazine[no description available]medium10N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
thiouridine[no description available]medium20nucleoside analogue;
thiouridine		affinity label;
antimetabolite
2-thiouridine[no description available]medium10nucleoside analogue;
thiouridine
6-hydrazinopyridine-3-carboxylic acid[no description available]medium10
tetraphenylphosphonium[no description available]medium10heteroorganic entity;
phosphorus molecular entity;
polyatomic cation
tetraphenylborate[no description available]medium10
aminopenicillanic acid[no description available]medium10amino acid zwitterion;
penicillanic acids		allergen
penicillanic acid[no description available]medium10penicillanic acids
phenoxyacetic acid[no description available]medium10aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
penicillin v[no description available]medium10penicillin allergen;
penicillin
6-oxopiperidine-2-carboxylate[no description available]medium10delta-lactam;
monocarboxylic acid		bacterial metabolite
sodium citrate, anhydrous[no description available]medium10organic sodium saltanticoagulant;
flavouring agent
amygdalin[no description available]medium10
bisdemethoxycurcumin[no description available]medium10beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
demethoxycurcumin[no description available]medium10beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antineoplastic agent;
metabolite
erythromycin estolate[no description available]medium10aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
sq-11725[no description available]medium10
sparfloxacin[no description available]medium10fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
kb 3022[no description available]medium10
tellurium[no description available]medium10chalcogen;
metalloid atom
methyl isocyanate[no description available]medium10isocyanatesallergen;
apoptosis inducer
dimethylaminopropionitrile[no description available]medium10
2-nitropropane[no description available]medium10secondary nitroalkanecarcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic
propylene oxide[no description available]medium10epoxide
sorbitan monooleate[no description available]medium10fatty acid ester
nipecotic acid[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid
pipecolic acid[no description available]medium10piperidinemonocarboxylic acid
5-aminovaleric acid[no description available]medium10amino acid zwitterion;
delta-amino acid;
omega-amino fatty acid		human metabolite
nifedipine[no description available]medium10C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
sterigmatocystin[no description available]medium10sterigmatocystinsmetabolite
sulfosalicylic acid[no description available]medium10arenesulfonic acid;
benzoic acids;
phenols		metabolite
2-cyanoacetamide[no description available]medium10
hyaluronoglucosaminidase[no description available]medium10
2-methoxy ethyl acetate[no description available]medium20
cadmium chloride[no description available]medium20cadmium coordination entity
methylmercuric chloride[no description available]medium10chlorine molecular entity;
mercury coordination entity;
one-carbon compound
fumaronitrile[no description available]medium20
diethanolamine[no description available]medium10ethanolamineshuman xenobiotic metabolite
dicarbine[no description available]medium20
pentacaine[no description available]medium20
colchicine[no description available]medium10alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
n-acetylsulfapyridine[no description available]medium10sulfonamide
sulfasalazine[no description available]medium10
piribedil[no description available]medium10N-arylpiperazine
pidotimod[no description available]medium10peptide
pyrrolidonecarboxylic acid[no description available]medium105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
des-enkephalin-gamma-endorphin[no description available]medium10
desmosterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C27-steroid;
cholestanoid		human metabolite;
mouse metabolite
pentamidine[no description available]medium10aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
flecainide[no description available]medium10aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fomepizole[no description available]medium10pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
ethion[no description available]medium10organic thiophosphateacaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
environmental contaminant;
insecticide
parathion[no description available]medium10C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
phosalone[no description available]medium101,3-benzoxazoles;
carbamate ester;
organochlorine insecticide;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
phorate[no description available]medium10organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor
leukotriene b4[no description available]medium10dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
nitrogenase[no description available]medium10
octyl glucoside[no description available]medium10beta-D-glucosideplant metabolite
diisopropyl ether[no description available]medium10
proadifen[no description available]medium10diarylmethane
metyrapone[no description available]medium10aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
atracurium[no description available]medium10diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
methionine sulfoximine[no description available]medium10methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide
buthionine sulfoximine[no description available]medium10diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer
florox reagent[no description available]medium10
hydroxocobalamin[no description available]medium10
pyrazinoic acid[no description available]medium10pyrazinecarboxylic acidantitubercular agent;
drug metabolite
methyl methanesulfonate[no description available]medium10methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
aminopyrine[no description available]medium10pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
adiponitrile[no description available]medium10
vanilmandelic acid[no description available]medium102-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
glycolonitrile[no description available]medium10cyanohydrin
phenylmethylsulfonyl fluoride[no description available]medium10acyl fluorideserine proteinase inhibitor
diethylhexyl phthalate[no description available]medium10diester;
phthalate ester		androstane receptor agonist;
apoptosis inhibitor;
plasticiser
mono-(2-ethylhexyl)phthalate[no description available]medium10phthalic acid monoester
potassium thiocyanate[no description available]medium10potassium salt
scopolamine hydrobromide[no description available]medium10
tin[no description available]medium10carbon group element atom;
elemental tin;
metal atom		micronutrient
tri-o-cresyl phosphate[no description available]medium10
sulfolane[no description available]low00sulfone;
tetrahydrothiophenes		polar aprotic solvent
boron trifluoride[no description available]low00boron fluorideNMR chemical shift reference compound
trichlorofluoromethane[no description available]low00chlorofluorocarbon;
halomethane		environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant
tetramethylsilane[no description available]low00organosilicon compoundNMR chemical shift reference compound
hexafluorobenzene[no description available]low00fluorobenzenes;
fluorocarbon		NMR chemical shift reference compound
trimethyl phosphate[no description available]low00trialkyl phosphateinsect attractant;
NMR chemical shift reference compound
triphenylphosphine[no description available]low00benzenes;
tertiary phosphine		NMR chemical shift reference compound;
reducing agent
hexafluoroacetone[no description available]low00ketone;
perfluorinated compound		NMR chemical shift reference compound
sulfur hexafluoride[no description available]low00sulfur coordination entitygreenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent
3-(trimethylsilyl)propionic acid[no description available]low00monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound
3-(trimethylsilyl)propanesulfonic acid[no description available]low00organosulfonic acidNMR chemical shift reference compound
3-cyanoalanine[no description available]low00alanine derivative;
aliphatic nitrile;
non-proteinogenic alpha-amino acid
pregnenolone carbonitrile[no description available]low00aliphatic nitrile
1,2-dibromo-2,4-dicyanobutane[no description available]low00aliphatic nitrile;
organobromine compound		allergen;
sensitiser
dienogest[no description available]low0017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone		progesterone receptor agonist;
progestin;
synthetic oral contraceptive
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile[no description available]low00aliphatic nitrile;
chromenes;
cyclic ketone;
enamine;
enone
rhodiocyanoside a[no description available]low00aliphatic nitrile;
beta-D-glucoside;
cyanogenic glycoside;
monosaccharide derivative		anti-allergic agent;
metabolite
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
bromoethane[no description available]low00bromoalkane;
bromohydrocarbon;
volatile organic compound		alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent
3-methylpentane[no description available]low00alkane;
volatile organic compound		allelochemical;
human metabolite;
non-polar solvent
methylcyclopentane[no description available]low00cycloalkane;
volatile organic compound		human metabolite;
plant metabolite
benzotrichloride[no description available]low00benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent
propargyl alcohol[no description available]low00propynol;
terminal acetylenic compound;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite
3-hexen-1-ol[no description available]low00alkenyl alcohol;
homoallylic alcohol;
primary alcohol;
volatile organic compound		plant metabolite
2,3,4-trimethylpentane[no description available]low00alkane;
volatile organic compound		mammalian metabolite;
nephrotoxic agent
ethyl tert-butyl ether[no description available]low00ether;
volatile organic compound		fuel additive
3-methylfuran[no description available]low00furans;
volatile organic compound		Aspergillus metabolite;
environmental contaminant;
fungal metabolite;
Penicillium metabolite;
plant metabolite
2-ethylfuran[no description available]low00furans;
volatile organic compound		bacterial metabolite;
fragrance;
Maillard reaction product;
plant metabolite
guaethol[no description available]low00aromatic ether;
phenols;
volatile organic compound		flavouring agent
decane-1,2-diol[no description available]low00glycol;
volatile organic compound		anti-inflammatory agent;
antioxidant;
human metabolite
2,4-hexadienal[no description available]low00hexadienal;
polyunsaturated fatty aldehyde;
volatile organic compound		flavouring agent;
plant metabolite
3-hydroxy-3-methyl-hexanoic acid[no description available]low003-hydroxy monocarboxylic acid;
volatile organic compound		human metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
2019 Novel Coronavirus Disease0low20
2019 Novel Coronavirus Infection0low20
2019-nCoV Disease0low20
2019-nCoV Infection0low20
7-Dehydrocholesterol Reductase Deficiency0low10
Abnormalities, Drug-Induced0low40
Absence Seizure0low10
Absence Seizures0low10
Acid Alpha-Glucosidase Deficiency0low10
Acid Maltase Deficiency0low10
Acid Maltase Deficiency Disease0low10
Acidosis0low20
Acidosis, Lactic0low10
Acquired Immune Deficiency Syndrome0low10
Acquired Immuno-Deficiency Syndrome0low10
Acquired Immunodeficiency Syndrome0low10
Actinic Reticuloid Syndrome0low10
Actinomycetoma0low10
Action Tremor0low10
Acute Confusional Senile Dementia0low50
Acute Kidney Failure0low10
Acute Kidney Injury0low10
Acute Kidney Insufficiency0low10
Acute Myelogenous Leukemia0low10
Acute Myeloid Leukemia0low10
Acute Myeloid Leukemia with Maturation0low10
Acute Myeloid Leukemia without Maturation0low10
Acute Renal Failure0low10
Acute Renal Injury0low10
Acute Renal Insufficiency0low10
Acute-Phase Reaction0low10
Acute-Phase State0low10
Adenocarcinoma0low10
Adenocarcinoma Of Kidney0low20
Adenocarcinoma, Basal Cell0low10
Adenocarcinoma, Granular Cell0low10
Adenocarcinoma, Oxyphilic0low10
Adenocarcinoma, Renal0low20
Adenocarcinoma, Renal Cell0low20
Adenocarcinoma, Tubular0low10
Adenoma0low10
Adenoma, Basal Cell0low10
Adenoma, Follicular0low10
Adenoma, Malignant0low10
Adenoma, Microcystic0low10
Adenoma, Monomorphic0low10
Adenoma, Oxyphilic0low10
Adenoma, Papillary0low10
Adenoma, Trabecular0low10
Adult Glycogen Storage Disease Type II0low10
African Lymphoma0low10
Aging0low10
AIDS0low10
AIDS Seroconversion0low10
AIDS Seropositivity0low10
Alcohol Abuse0low10
Alcohol Addiction0low10
Alcohol Dependence0low10
Alcohol Drinking0low10
Alcohol Use Disorder0low10
Alcoholic Intoxication, Chronic0low10
Alcoholism0low10
Allergic Contact Dermatitis0low20
Allergy, Food0low10
Allotriophagy0low10
Alloxan Diabetes0low10
Alpha-1,4-Glucosidase Deficiency0low10
alpha-Galactosidase A Deficiency0low10
alpha-Galactosidase A Deficiency Disease0low10
alpha-L-Iduronidase Deficiency0low10
Alzheimer Dementia0low50
Alzheimer Disease0low50
Alzheimer Disease, Early Onset0low50
Alzheimer Disease, Late Onset0low50
Alzheimer Sclerosis0low50
Alzheimer Syndrome0low50
Alzheimer Type Senile Dementia0low50
Alzheimer-Type Dementia (ATD)0low50
Alzheimer's Disease0low50
Alzheimer's Disease, Focal Onset0low50
Alzheimer's Diseases0low50
Anderson-Fabry Disease0low10
Anemia, Cooley's0low10
Anemia, Erythroblastic0low10
Anemia, Mediterranean0low10
Aneuploid0low40
Aneuploid Cell0low40
Aneuploidy0low40
Angiokeratoma Corporis Diffusum0low10
Angiokeratoma Diffuse0low10
Angiokeratoma, Diffuse0low10
ANLL0low10
Anoxemia0low40
Anoxia0low40
Anti-HIV Positivity0low10
Arginino Succinase Deficiency0low10
Argininosuccinase Deficiency0low10
Argininosuccinate Acidemia0low10
Argininosuccinate Lyase Deficiency0low10
Argininosuccinic Acid Lyase Deficiency0low10
Argininosuccinic Acidemia0low10
Argininosuccinic Aciduria0low10
Argininosuccinicaciduria0low10
Argininosuccinyl-Coa Lyase Deficiency0low10
Arginosuccinase Deficiency0low10
Arteriosclerosis, Coronary0low10
ASA Deficiency0low10
Asauria0low10
ASL Deficiency0low10
Asystole0low10
Atherosclerosis, Coronary0low10
Atherosclerotic Parkinsonism0low10
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Aura0medium11
Autoimmune Diabetes0low10
Awakening Epilepsy0medium11
B-Cell Lymphoma0low10
Bacterial Infections, Gram-Negative0low10
Bacterial Infections, Gram-Positive0low10
Benign Neoplasms0low70
beta Thalassemia0low10
beta-Thalassemia0low10
Biliary Tract Diseases0low10
Blood Pressure, High0low20
Body Weight0low20
Bowel Diseases, Inflammatory0low10
Breast Cancer0low60
Breast Carcinoma0low60
Breast Neoplasms0low60
Breast Tumors0low60
Burkitt Cell Leukemia0low10
Burkitt Leukemia0low10
Burkitt Lymphoma0low10
Burkitt Tumor0low10
Burkitt's Leukemia0low10
Burkitt's Lymphoma0low10
Burkitt's Tumor0low10
Cadaver0low10
Cancer0low70
Cancer of Breast0low60
Cancer of Colon0low10
Cancer of Esophagus0low10
Cancer of Kidney0low30
Cancer of Liver0low20
Cancer of Lung0low20
Cancer of Skin0low20
Cancer of the Breast0low60
Cancer of the Colon0low10
Cancer of the Esophagus0low10
Cancer of the Kidney0low30
Cancer of the Liver0low20
Cancer of the Lung0low20
Cancer of the Skin0low20
Cancer Pain0low10
Cancer-Associated Pain0low10
Cancer-Related Pain0low10
Cancer, Hepatocellular0low20
Carcinoma0low10
Carcinoma, Anaplastic0low10
Carcinoma, Cribriform0low10
Carcinoma, Ductal, Breast0low10
Carcinoma, Epidermoid0low10
Carcinoma, Granular Cell0low10
Carcinoma, Hepatocellular0low10
Carcinoma, Hypernephroid0low20
Carcinoma, Infiltrating Duct0low10
Carcinoma, Invasive Ductal, Breast0low10
Carcinoma, Lobular0low10
Carcinoma, Mammary Ductal0low10
Carcinoma, Non-Small Cell Lung0low10
Carcinoma, Non-Small-Cell Lung0low10
Carcinoma, Planocellular0low10
Carcinoma, Renal Cell0low20
Carcinoma, Spindle-Cell0low10
Carcinoma, Squamous0low10
Carcinoma, Squamous Cell0low10
Carcinoma, Tubular0low10
Carcinoma, Undifferentiated0low10
Carcinomatosis0low10
Cardiac Arrest0low10
Cardiopulmonary Arrest0low10
Cataract0low10
Cataract, Membranous0low10
Ceramide Trihexosidase Deficiency0low10
Chemical Dependence0low10
Chromophil Renal Cell Carcinoma0low20
Chromophobe Renal Cell Carcinoma0low20
Chronic Actinic Dermatitis0low10
Chronic Disease0low10
Chronic Hepatitis C0low10
Chronic Illness0low10
Chronically Ill0low10
Clear Cell Renal Carcinoma0low20
Clear Cell Renal Cell Carcinoma0low20
Clonic Seizure0low10
Clonic Seizures0low10
Coarse Tremor0low10
Cocaine Abuse0low10
Cocaine Addiction0low10
Cocaine Dependence0low10
Cocaine-Related Disorders0low10
Collecting Duct Carcinoma0low20
Collecting Duct Carcinoma (Kidney)0low20
Collecting Duct Carcinoma of the Kidney0low20
Colon Cancer0low10
Colon Neoplasms0low10
Colonic Cancer0low10
Colonic Neoplasms0low10
Colorectal Cancer0low30
Colorectal Carcinoma0low30
Colorectal Neoplasms0low30
Colorectal Tumors0low30
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Continuous Tremor0low10
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Coronary Arteriosclerosis0low10
Coronary Artery Disease0low10
Coronary Atherosclerosis0low10
Coronavirus Disease 20190low20
Coronavirus Disease-190low20
Corpse0low10
Cough0low20
COVID-190low20
COVID-19 Pandemic0low20
COVID-19 Pandemics0low20
COVID-19 Virus Disease0low20
COVID-19 Virus Infection0low20
COVID190low20
Cyanosis0low10
Cystic Fibrosis0low10
Cystic Fibrosis of Pancreas0low10
Darkness Tremor0low10
Deficiency Disease, Acid Maltase0low10
Deficiency Disease, Lysosomal alpha-1,4-Glucosidase0low10
Deficiency of Alpha-Glucosidase0low10
Deficiency, Oxygen0low40
Degenerative Diseases, Central Nervous System0low10
Degenerative Diseases, Nervous System0low10
Degenerative Diseases, Neurologic0low10
Degenerative Diseases, Spinal Cord0low10
Degenerative Neurologic Diseases0low10
Degenerative Neurologic Disorders0low10
Dehydration0low10
Delayed Hypersensitivity0low10
Dementia Praecox0low10
Dementia, Alzheimer Type0low50
Dementia, Presenile0low50
Dementia, Primary Senile Degenerative0low50
Dementia, Senile0low50
Depression0low10
Dermatitis, Actinic0low10
Dermatitis, Allergic Contact0low20
Dermatitis, Allergic Eczematous0low20
Dermatitis, Contact, Allergic0low20
Dermatitis, Occupational0low10
Dermatomycoses0low10
Dermatomycosis0low10
Dermatophyte Infection0low10
Dermatosis, Industrial0low10
Diabetes Mellitus0low30
Diabetes Mellitus, Adult-Onset0low20
Diabetes Mellitus, Brittle0low10
Diabetes Mellitus, Experimental0low10
Diabetes Mellitus, Insulin-Dependent0low10
Diabetes Mellitus, Insulin-Dependent, 10low10
Diabetes Mellitus, Juvenile-Onset0low10
Diabetes Mellitus, Ketosis-Prone0low10
Diabetes Mellitus, Ketosis-Resistant0low20
Diabetes Mellitus, Maturity-Onset0low20
Diabetes Mellitus, Non Insulin Dependent0low20
Diabetes Mellitus, Non-Insulin-Dependent0low20
Diabetes Mellitus, Noninsulin Dependent0low20
Diabetes Mellitus, Noninsulin-Dependent0low20
Diabetes Mellitus, Slow-Onset0low20
Diabetes Mellitus, Stable0low20
Diabetes Mellitus, Sudden-Onset0low10
Diabetes Mellitus, Type 10low10
Diabetes Mellitus, Type 20low20
Diabetes Mellitus, Type I0low10
Diabetes Mellitus, Type II0low20
Diabetes, Autoimmune0low10
Diffuse Myofascial Pain Syndrome0low10
Disease Models, Animal0low30
Diseases, Metabolic0low10
Diseases, Occupational0low20
Drug Abuse0low10
Drug Addiction0low10
Drug Dependence0low10
Drug Habituation0low10
Drug Overdose0low20
Drug Use Disorders0low10
Drug-Induced Abnormalities0low40
Early Onset Alzheimer Disease0low50
Electrolytes0low390
Elevated Cholesterol0low10
Epilepsy0medium11
Epilepsy, Cryptogenic0medium11
Epileptic Seizure0low10
Epileptic Seizures0low10
Epithelial Neoplasms, Malignant0low10
Epithelial Tumors, Malignant0low10
Epithelioma0low10
Erythroblastic Anemia0low10
Esophageal Cancer0low10
Esophageal Neoplasms0low10
Esophageal Reflux0low10
Esophagus Cancer0low10
Esophagus Neoplasm0low10
Ethanol Abuse0low10
Eumycetoma0low10
Experimental Diabetes Mellitus0low10
Extravascular Hemolysis0low10
Fabry Disease0low10
Fabry's Disease0low10
Familial Alzheimer Disease (FAD)0low50
Fibrocystic Disease of Pancreas0low10
Fibromyalgia0low10
Fibromyalgia-Fibromyositis Syndrome0low10
Fibromyalgia, Primary0low10
Fibromyalgia, Secondary0low10
Fibromyositis-Fibromyalgia Syndrome0low10
Fibrositis0low10
Fine Tremor0low10
Focal Onset Alzheimer's Disease0low50
Food Allergy0low10
Food Hypersensitivity0low10
Food Poisoning0low10
Food-borne Disease0low10
Food-borne Diseases0low10
Food-borne Illness0low10
Food-borne Illnesses0low10
Foodborne Disease0low10
Foodborne Diseases0low10
Foodborne Illness0low10
Foodborne Illnesses0low10
Fungal Skin Diseases0low10
GAA Deficiency0low10
Gargoylism0low10
Gargoylism, Hurler Syndrome0low10
Gastric Acid Reflux0low10
Gastric Acid Reflux Disease0low10
Gastro-Esophageal Reflux0low10
Gastro-Esophageal Reflux Disease0low10
Gastro-oesophageal Reflux0low10
Gastroesophageal Reflux0low10
Gastroesophageal Reflux Disease0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Glycogenosis0low10
Generalized Tonic-Clonic Seizures0low10
Genetic Non-Disjunction0low10
Genetic Nondisjunction0low10
Geophagia0low10
GERD0low10
Germinoblastoma0low10
GLA Deficiency0low10
Glycogen Storage Disease II0low10
Glycogen Storage Disease Type 20low10
Glycogen Storage Disease Type II0low10
Glycogen Storage Disease Type II, Adult0low10
Glycogen Storage Disease Type II, Infantile0low10
Glycogen Storage Disease Type II, Juvenile0low10
Glycogenosis 20low10
Glycogenosis Type II0low10
Gram-Negative Bacterial Infections0low10
Gram-Positive Bacterial Infections0low10
Granulocytic Leukemia0low10
Granulocytic Leukemia, Chronic0low10
Grawitz Tumor0low20
Grippe0low30
GSD II0low10
GSD20low10
Haemolysis0low10
Hand Dermatoses0low10
Hand Dermatosis0low10
Heart Arrest0low10
Hemoglobin F Disease0low10
Hemolysis0low10
Hepatic Cancer0low20
Hepatic Neoplasms0low20
Hepatitis C, Chronic0low10
Hepatocellular Cancer0low20
Hepatocellular Carcinoma0low10
Hepatoma0low10
Hereditary Dystopic Lipidosis0low10
Heroin Abuse0low20
Heroin Addiction0low20
Heroin Dependence0low20
Heroin Smoking0low20
High Cholesterol Levels0low10
HIV Antibody Positivity0low10
HIV Coinfection0low20
HIV Infections0low20
HIV Seroconversion0low10
HIV Seropositivity0low10
HTLV-III Infections0low20
HTLV-III Seroconversion0low10
HTLV-III Seropositivity0low10
HTLV-III-LAV Infections0low20
Huerthle Cell Tumor0low10
Human Flu0low30
Human Influenza0low30
Human Mammary Carcinoma0low60
Hurler Disease0low10
Hurler Syndrome0low10
Hurler-Scheie Syndrome0low10
Hurler's Disease0low10
Hurler's Syndrome0low10
Hurthle Cell Tumor0low10
Hypercholesteremia0low10
Hypercholesterolemia0low10
Hyperlipemia0low10
Hyperlipidemia0low10
Hyperlipidemias0low10
Hypernephroma0low20
Hyperotosis Corticalis Generalisata Familiaris0low10
Hyperplasia0low20
Hypersensitivity, Delayed0low10
Hypersensitivity, Food0low10
Hypersensitivity, Tuberculin-Type0low10
Hypersensitivity, Type IV0low10
Hypertension0low20
Hypertension, Pulmonary0low10
Hyperuricemia0low10
Hypoxemia0low40
Hypoxia0low40
IDDM0low10
Idiopathic Parkinson Disease0low20
Idiopathic Parkinson's Disease0low20
Immunodeficiency Syndrome, Acquired0low10
Immunologic Deficiency Syndrome, Acquired0low10
Inborn Error of Urea Synthesis, Arginino Succinic Type0low10
Inborn Errors of Metabolism0low10
Industrial Dermatosis0low10
Infantile Glycogen Storage Disease Type II0low10
Infections, Gram-Negative Bacterial0low10
Infections, Gram-Positive Bacterial0low10
Infections, Mycobacterium0low10
Infections, Plasmodium0medium11
Infections, Pseudomonas0low10
Inflammatory Bowel Diseases0low10
Influenza0low30
Influenza in Humans0low30
Influenza, Human0low30
Injuries0low10
Injuries and Wounds0low10
Injuries, Wounds0low10
Insulin-Dependent Diabetes Mellitus 10low10
Intention Tremor0low10
Intermittent Tremor0low10
Intravascular Hemolysis0low10
Invasive Ductal Carcinoma, Breast0low10
Involuntary Quiver0low10
Jacksonian Seizure0low10
Juvenile Glycogen Storage Disease Type II0low10
Juvenile-Onset Diabetes0low10
Kahler Disease0low20
Kidney Cancer0low30
Kidney Diseases0low20
Kidney Failure, Acute0low10
Kidney Insufficiency, Acute0low10
Kidney Neoplasms0low30
Lactic Acidosis0low10
Late Onset Alzheimer Disease0low50
Left Main Coronary Artery Disease0low10
Left Main Coronary Disease0low10
Left Main Disease0low10
Lens Opacities0low10
Lethal Acrodysgenital Syndrome0low10
Leukemia, Acute Myelogenous0low10
Leukemia, Acute Myeloid0low10
Leukemia, Chronic Myelogenous0low10
Leukemia, Chronic Myeloid0low10
Leukemia, Granulocytic0low10
Leukemia, Granulocytic, Chronic0low10
Leukemia, Lymphoblastic, Burkitt-Type0low10
Leukemia, Lymphocytic, L30low10
Leukemia, Monocytic, Chronic0low10
Leukemia, Myeloblastic, Acute0low10
Leukemia, Myelocytic0low10
Leukemia, Myelocytic, Acute0low10
Leukemia, Myelocytic, Chronic0low10
Leukemia, Myelogenous0low10
Leukemia, Myelogenous, Acute0low10
Leukemia, Myelogenous, Chronic0low10
Leukemia, Myelogenous, Chronic, BCR-ABL Positive0low10
Leukemia, Myelogenous, Ph1 Positive0low10
Leukemia, Myelogenous, Ph1-Positive0low10
Leukemia, Myeloid0low10
Leukemia, Myeloid, Acute0low10
Leukemia, Myeloid, Acute, M10low10
Leukemia, Myeloid, Acute, M20low10
Leukemia, Myeloid, Chronic0low10
Leukemia, Myeloid, Ph1 Positive0low10
Leukemia, Myeloid, Ph1-Positive0low10
Leukemia, Myeloid, Philadelphia Positive0low10
Leukemia, Myeloid, Philadelphia-Positive0low10
Leukemia, Nonlymphoblastic, Acute0low10
Leukemia, Nonlymphocytic, Acute0low10
Leukemia, Pre-B-Cell0low10
Lewy Body Parkinson Disease0low20
Lewy Body Parkinson's Disease0low20
Libman-Sacks Disease0low10
Lipemia0low10
Lipidemia0low10
Lipochondrodystrophy0low10
Liver Cancer0low20
Liver Cancer, Adult0low10
Liver Cell Carcinoma0low10
Liver Cell Carcinoma, Adult0low10
Liver Neoplasms0low20
Lung Cancer0low20
Lung Neoplasms0low20
Lupus Erythematosus Disseminatus0low10
Lupus Erythematosus, Systemic0low10
Lymphocytic Leukemia, L30low10
Lymphoma0low10
Lymphoma, B-Cell0low10
Lymphoma, Burkitt0low10
Lymphoma, Malignant0low10
Lysosomal alpha-1,4-Glucosidase Deficiency Disease0low10
Madura Foot0low10
Maduromycosis0low10
Malaria0medium11
Malignancy0low70
Malignant Epithelial Neoplasms0low10
Malignant Melanoma0low10
Malignant Neoplasm of Breast0low60
Malignant Neoplasms0low70
Malignant Tumor of Breast0low60
Mammary Cancer0low60
Mammary Carcinoma, Human0low60
Mammary Ductal Carcinoma0low10
Mammary Neoplasm, Human0low60
Mammary Neoplasms, Human0low60
Marsh Fever0medium11
Massive Tremor0low10
Maturity-Onset Diabetes0low20
Maturity-Onset Diabetes Mellitus0low20
Mediterranean Anemia0low10
Melanoma0low10
Metabolic Acidosis0low20
Metabolic Diseases0low10
Metabolism Errors, Inborn0low10
Metabolism, Inborn Errors0low10
Microcytemia, beta Type0low10
Middle Ear Effusion0low10
MODY0low20
Monocytic Leukemia, Chronic0low10
Mucopolysaccharidosis 10low10
Mucopolysaccharidosis 50low10
Mucopolysaccharidosis I0low10
Mucopolysaccharidosis I-S0low10
Mucopolysaccharidosis Type I0low10
Mucopolysaccharidosis Type Ih0low10
Mucopolysaccharidosis Type Ih S0low10
Mucopolysaccharidosis Type Is0low10
Mucopolysaccharidosis V0low10
Mucoviscidosis0low10
Multiple Myeloma0low20
Mycetoma0low10
Mycobacterium Infections0low10
Myeloblastic Leukemia, Acute0low10
Myelocytic Leukemia0low10
Myelocytic Leukemia, Acute0low10
Myelocytic Leukemia, Chronic0low10
Myelogenous Leukemia0low10
Myelogenous Leukemia, Acute0low10
Myelogenous Leukemia, Chronic0low10
Myelogenous Leukemia, Ph1-Positive0low10
Myeloid Leukemia0low10
Myeloid Leukemia, Acute0low10
Myeloid Leukemia, Acute, M10low10
Myeloid Leukemia, Acute, M20low10
Myeloid Leukemia, Chronic0low10
Myeloid Leukemia, Ph1-Positive0low10
Myeloid Leukemia, Philadelphia-Positive0low10
Myeloma-Multiple0low20
Myeloma, Multiple0low20
Myeloma, Plasma-Cell0low20
Myelomatosis0low20
Myoclonic Seizure0low10
Myoclonic Seizures0low10
Myofascial Pain Syndrome, Diffuse0low10
Neoplasia0low70
Neoplasm0low70
Neoplasm-Associated Pain0low10
Neoplasm-Related Pain0low10
Neoplasms0low70
Neoplasms, Benign0low70
Neoplasms, Breast0low60
Neoplasms, Colonic0low10
Neoplasms, Colorectal0low30
Neoplasms, Esophageal0low10
Neoplasms, Hepatic0low20
Neoplasms, Kidney0low30
Neoplasms, Liver0low20
Neoplasms, Lung0low20
Neoplasms, Malignant Epithelial0low10
Neoplasms, Pulmonary0low20
Neoplasms, Skin0low20
Nephroid Carcinoma0low20
Nervous System Degenerative Diseases0low10
Neuroblastoma0low10
Neurodegenerative Diseases0low10
Neurodegenerative Disorders0low10
Neurologic Degenerative Conditions0low10
Neurologic Degenerative Diseases0low10
Neurologic Diseases, Degenerative0low10
NIDDM0low20
Non-Disjunction, Genetic0low10
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Non-Small Cell Lung Cancer0low10
Non-Small Cell Lung Carcinoma0low10
Non-Small-Cell Lung Carcinoma0low10
Nondisjunction, Genetic0low10
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Noninsulin-Dependent Diabetes Mellitus0low20
Nonlymphoblastic Leukemia, Acute0low10
Nonlymphocytic Leukemia, Acute0low10
Nonsmall Cell Lung Cancer0low10
Occupational Dermatitis0low10
Occupational Diseases0low20
Occupational Illnesses0low20
Oncocytoma0low10
Oncological Pain0low10
Oncology Pain0low10
Organic Mental Disorders, Substance-Induced0low10
Organophosphate Poisoning0low10
Organophosphorus Poisoning0low10
Organothiophosphate Poisoning0low10
Organothiophosphonate Poisoning0low10
Osteoarthritis of Knee0low10
Osteoarthritis of the Knee0low10
Osteoarthritis, Knee0low10
Otitis Media with Effusion0low10
Otitis Media, Secretory0low10
Otitis Media, Serous0low10
Oxygen Deficiency0low40
Paludism0medium11
Pancreatic Cystic Fibrosis0low10
Pancreatic Diseases0low10
Papillary Renal Cell Carcinoma0low20
Papilloma0low10
Papilloma, Squamous Cell0low10
Papillomatosis0low10
Paralysis Agitans0low20
Parkinson Disease0low20
Parkinson Disease, Idiopathic0low20
Parkinson Disease, Secondary0low10
Parkinson Disease, Secondary Vascular0low10
Parkinson Disease, Symptomatic0low10
Parkinson's Disease0low20
Parkinson's Disease, Idiopathic0low20
Parkinson's Disease, Lewy Body0low20
Parkinsonism, Secondary0low10
Parkinsonism, Symptomatic0low10
Parodontosis0low10
Partial Seizure0low10
Partial Seizures0low10
Passive Tremor0low10
Periodontal Diseases0low10
Persistent Tremor0low10
Petit Mal Convulsion0low10
Pfaundler-Hurler Syndrome0low10
Photodermatitis0low10
Photosensitivity Disorders0low10
Photosensitization0low10
Pica0low10
Pill Rolling Tremor0low10
Plasma Cell Myeloma0low20
Plasmodium Infections0medium11
Poisoning0low90
Poisoning, Food0low10
Polydactyly, Sex Reversal, Renal Hypoplasia, And Unilobar Lung0low10
Pompe Disease0low10
Pompe's Disease0low10
Porphyria Cutanea Tarda0low10
Pre B-ALL0low10
Pre-B ALL0low10
Pre-B-Cell Leukemia0low10
Precursor B-Cell Lymphoblastic Leukemia0low10
Precursor B-Cell Lymphoblastic Leukemia-Lymphoma0low10
Precursor B-Cell Lymphoblastic Lymphoma0low10
Pregnancy0medium171
Prescription Drug Abuse0low10
Presenile Alzheimer Dementia0low50
Primary Parkinsonism0low20
Primary Senile Degenerative Dementia0low50
Pseudoaphakia0low10
Pseudomonas aeruginosa Infection0low10
Pseudomonas Infections0low10
Pulmonary Cancer0low20
Pulmonary Cystic Fibrosis0low10
Pulmonary Hypertension0low10
Pulmonary Neoplasms0low20
Pyorrhea Alveolaris0low10
Reaction, Acute-Phase0low10
Reflux, Gastroesophageal0low10
Remittent Fever0medium11
Renal Cancer0low30
Renal Carcinoma0low20
Renal Cell Cancer0low20
Renal Cell Carcinoma0low20
Renal Cell Carcinoma, Papillary0low20
Renal Collecting Duct Carcinoma0low20
Renal Failure, Acute0low10
Renal Insufficiency, Acute0low10
Renal Neoplasms0low30
Research-Related Injuries0low10
Response, Acute-Phase0low10
Rest Tremor0low10
Resting Tremor0low10
Reticulolymphosarcoma0low10
Rhabdomyolysis0low10
Rheumatic Diseases0low10
Rheumatism0low10
Rheumatism, Muscular0low10
RSH Syndrome0low10
RSH-SLO Syndrome0low10
Rutledge Friedman Harrod Syndrome0low10
Rutledge Lethal Multiple Congenital Anomaly Syndrome0low10
Sarcoma, Germinoblastic0low10
Sarcomatoid Renal Cell Carcinoma0low20
SARS Coronavirus 2 Infection0low20
SARS-CoV-2 Infection0low20
Saturnine Tremor0low10
Scheie Syndrome0low10
Scheie's Syndrome0low10
Schizophrenia0low10
Schizophrenic Disorders0low10
Sclerosis0low10
Secondary Parkinsonism0low10
Secondary Vascular Parkinson Disease0low10
Seizure0low10
Seizure Disorder0medium11
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Senile Dementia, Acute Confusional0low50
Senile Dementia, Alzheimer Type0low50
Senile Tremor0low10
Sensitivity and Specificity0medium4367
Shock, Cardiogenic0low10
Single Seizure0low10
Skin Cancer0low20
Skin Diseases, Fungal0low10
Skin Neoplasms0low20
SLO Syndrome0low10
Smith Lemli Opitz syndrome, type 10low10
Smith-Lemli-Opitz Syndrome0low10
Smith-Lemli-Opitz Syndrome, Type 10low10
Smith-Lemli-Opitz Syndrome, Type 20low10
Smith-Lemli-Opitz Syndrome, Type I0low10
Smith-Lemli-Opitz Syndrome, Type II0low10
Smoking Cessation0low10
Squamous Cell Carcinoma0low10
Static Tremor0low10
Streptozocin Diabetes0low10
Streptozotocin Diabetes0low10
Substance Abuse0low10
Substance Addiction0low10
Substance Dependence0low10
Substance Use0low10
Substance Use Disorders0low10
Substance-Related Disorders0low10
Symptomatic Parkinson Disease0low10
Systemic Lupus Erythematosus0low10
T-Lymphotropic Virus Type III Infections, Human0low20
Thalassemia Intermedia0low10
Thalassemia Major0low10
Thalassemia Major (beta-Thalassemia Major)0low10
Thalassemia Minor0low10
Thalassemia Minor (beta-Thalassemia Minor)0low10
Thalassemia, beta Type0low10
Thesaurismosis0low10
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizures0low10
Trauma0low10
Tremor0low10
Tremor, Limb0low10
Tremor, Muscle0low10
Tremor, Neonatal0low10
Tremor, Nerve0low10
Tremor, Perioral0low10
Tremor, Semirhythmic0low10
Tuberculin-Type Hypersensitivity0low10
Tumor-Associated Pain0low10
Tumor-Related Pain0low10
Tumors0low70
Tumors, Breast0low60
Type 1 Diabetes0low10
Type 1 Diabetes Mellitus0low10
Type 2 Diabetes0low20
Type 2 Diabetes Mellitus0low20
Type IV Hypersensitivity0low10
Urea Cycle Disorder, Arginino Succinase Type0low10
Water Stress0low10
Wounds0low10
Wounds and Injuries0low10
Wounds and Injury0low10
Wounds, Injury0low10

Research Highlights

Safety/Toxicity (16)

ArticleYear
Combination of a modified quick, easy, cheap, efficient, rugged, and safe extraction method with a deep eutectic solvent based microwave-assisted dispersive liquid-liquid microextraction: Application in extraction and preconcentration of multiclass pestic
Journal of separation science, Volume: 42, Issue: 6		2019
Analysis of 4(5)-methylimidazole in soy sauce by a quick, easy, cheap, effective, rugged, and safe approach and liquid chromatography-mass spectrometry.
Journal of chromatography. A, Mar-15, Volume: 1588		2019
Forced degradation study of racecadotril: Effect of co-solvent, characterization of degradation products by UHPLC-Q-TOF-MS/MS, NMR and cytotoxicity assay.
Journal of pharmaceutical and biomedical analysis, Sep-05, Volume: 128		2016
Toxicity of drinking water disinfection byproducts: cell cycle alterations induced by the monohaloacetonitriles.
Environmental science & technology, Oct-07, Volume: 48, Issue: 19		2014
Evaluation of two modified quick, easy, cheap, effective, rugged and safe (QuEChERS) sample preparation methods for the analysis of baclofen and gabapentin in feeds by liquid chromatography tandem mass spectrometry.
Journal of pharmaceutical and biomedical analysis, Volume: 88		2014
Determination of 136 pharmaceuticals and hormones in sewage sludge using quick, easy, cheap, effective, rugged and safe extraction followed by analysis with liquid chromatography-time-of-flight-mass spectrometry.
Journal of chromatography. A, May-17, Volume: 1290		2013
A safe and practical method for the preparation of 7α-thioether and thioester derivatives of spironolactone.
Steroids, Volume: 78, Issue: 1		2013
Use of the modified quick easy cheap effective rugged and safe sample preparation approach for the simultaneous analysis of type A- and B-trichothecenes in wheat flour.
Journal of chromatography. A, Feb-26, Volume: 1217, Issue: 9		2010
Analysis of pesticide residues using the Quick Easy Cheap Effective Rugged and Safe (QuEChERS) pesticide multiresidue method in combination with gas and liquid chromatography and tandem mass spectrometric detection.
Analytical and bioanalytical chemistry, Volume: 389, Issue: 6		2007
Identification of the region of non-Abeta component (NAC) of Alzheimer's disease amyloid responsible for its aggregation and toxicity.
Journal of neurochemistry, Volume: 78, Issue: 2		2001
Development of a soil extraction procedure for ecotoxicity characterization of energetic compounds.
Ecotoxicology and environmental safety, Volume: 39, Issue: 3		1998
Acetone potentiation of acute acetonitrile toxicity in rats.
Journal of toxicology and environmental health, Volume: 15, Issue: 5		1985
Developmental toxicity of halogenated acetonitriles: drinking water by-products of chlorine disinfection.
Toxicology, Oct-12, Volume: 46, Issue: 1		1987
Cyanide toxicity from acetonitrile-containing false nail remover.
The American journal of emergency medicine, Volume: 9, Issue: 3		1991
Studies on the mechanism of acetonitrile toxicity. I: Whole body autoradiographic distribution and macromolecular interaction of 2-14C-acetonitrile in mice.
Pharmacology & toxicology, Volume: 70, Issue: 5 Pt 1		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (2)

ArticleYear
Validation of a method for the targeted analysis of 96 drugs in hair by UPLC-MS/MS.
Journal of pharmaceutical and biomedical analysis, Volume: 88		2014
Using buffer additives to improve analyte stream stability in micro free flow electrophoresis.
Lab on a chip, May-21, Volume: 10, Issue: 10		2010
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (85)

ArticleYear
Towards an accurate method for column void volume determination using liquid chromatography-mass spectrometry.
Journal of chromatography. A, Sep-13, Volume: 1706		2023
Evaluation of a linear free energy relationship for the determination of the column void volume in hydrophilic interaction chromatography.
Journal of chromatography. A, Feb-08, Volume: 1638		2021
Microfluidic water-assisted trap focusing method for ultra-large volume injection in reversed-phase nano-liquid chromatography coupled to electron ionization tandem-mass spectrometry.
Journal of chromatography. A, Sep-13, Volume: 1627		2020
Mismatch between sample diluent and eluent: Maintaining integrity of gradient peaks using in silico approaches.
Journal of chromatography. A, Dec-20, Volume: 1608		2019
Peak sharpening limits of solvent-assisted post-column refocusing to enhance detection limits in liquid chromatography.
Journal of chromatography. A, Feb-08, Volume: 1586		2019
Development and validation of a liquid chromatography tandem mass spectrometry assay for AZD3965 in mouse plasma and tumor tissue: Application to pharmacokinetic and breast tumor xenograft studies.
Journal of pharmaceutical and biomedical analysis, Jun-05, Volume: 155		2018
Using the fundamentals of adsorption to understand peak distortion due to strong solvent effect in hydrophilic interaction chromatography.
Journal of chromatography. A, Mar-17, Volume: 1489		2017
Evaluation of sample extraction methods for minimizing hematocrit effect on whole blood analysis with volumetric absorptive microsampling.
Bioanalysis, Volume: 9, Issue: 4		2017
Analysis of fenretinide and its metabolites in human plasma by liquid chromatography-tandem mass spectrometry and its application to clinical pharmacokinetics.
Journal of pharmaceutical and biomedical analysis, Jan-05, Volume: 132		2017
A LC-MS/MS method for the determination of stachyose in rat plasma and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, May-10, Volume: 123		2016
Highly Sensitive LC-MS-MS Method for the Determination of Tacrine in Rat Plasma: Application to Pharmacokinetic Studies in Rats.
Journal of chromatographic science, Volume: 54, Issue: 3		2016
Determination of dihydromyricetin in rat plasma by LC-MS/MS and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Oct-10, Volume: 114		2015
A validated LC-MS/MS assay for the simultaneous determination of periplocin and its two metabolites, periplocymarin and periplogenin in rat plasma: Application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Oct-10, Volume: 114		2015
Simultaneous determination of febuxostat and its three active metabolites in human plasma by liquid chromatography-tandem mass spectrometry and its application to a pharmacokinetic study in Chinese healthy volunteers.
Journal of pharmaceutical and biomedical analysis, Oct-10, Volume: 114		2015
[Combination of programmable temperature vaporizer-large volume injection gas chromatography-mass spectrometry and automated mass spectral deconvolution and identification system for the determination of 32 pesticides in fruits and vegetables].
Se pu = Chinese journal of chromatography, Volume: 32, Issue: 12		2014
LC-MS/MS method for the determination of rosiglitazone on rat dried blood spots and rat urine: Application to pharmacokinetics.
Journal of pharmaceutical and biomedical analysis, Volume: 111		2015
Determination of thymopentin in beagle dog blood by liquid chromatography with tandem mass spectrometry and its application to a preclinical pharmacokinetic study.
Journal of separation science, Volume: 38, Issue: 8		2015
Determination of isobavachalcone in rat plasma by LC-MS/MS and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Mar-25, Volume: 107		2015
Dispersive liquid-liquid microextraction for the determination of phenols by acetonitrile stacking coupled with sweeping-micellar electrokinetic chromatography with large-volume injection.
Journal of chromatography. A, Sep-26, Volume: 1361		2014
Determination of rifampicin in rat plasma by modified large-volume direct injection RAM-HPLC and its application to a pharmcokinetic study.
Biomedical chromatography : BMC, Volume: 29, Issue: 3		2015
Development of a UPLC-MS/MS bioanalytical method for the pharmacokinetic study of (-)-epiafzelechin, a flavan-3-ol with osteoprotective activity, in C57BL/6J mice.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Sep-15, Volume: 967		2014
Comparison of peak shape in hydrophilic interaction chromatography using acidic salt buffers and simple acid solutions.
Journal of chromatography. A, Jun-20, Volume: 1347		2014
Improving peak shapes with counter gradients in two-dimensional high performance liquid chromatography.
Journal of chromatography. A, Apr-11, Volume: 1337		2014
Effects of large volume injection of aliphatic alcohols as sample diluents on the retention of low hydrophobic solutes in reversed-phase liquid chromatography.
Journal of chromatography. A, Jan-03, Volume: 1323		2014
Approaches to model the retention and peak profile in linear gradient reversed-phase liquid chromatography.
Journal of chromatography. A, Apr-05, Volume: 1284		2013
Validated LC-ESI-MS/MS method for simultaneous quantitation of felodipine and metoprolol in rat plasma: application to a pharmacokinetic study in rats.
Biomedical chromatography : BMC, Volume: 27, Issue: 6		2013
Ternary isocratic mobile phase optimization utilizing resolution Design Space based on retention time and peak width modeling.
Journal of chromatography. A, Jan-18, Volume: 1273		2013
Photoisomerization for a model protonated Schiff base in solution: sloped/peaked conical intersection perspective.
The Journal of chemical physics, Dec-14, Volume: 137, Issue: 22		2012
Pharmacokinetics and brain penetration of LF-3-88, (2-[5-[5-(2(S)-azetidinylmethoxyl)-3-pyridyl]-3-isoxazolyl]ethanol), a selective α4β2-nAChR partial agonist and promising antidepressant.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jan-01, Volume: 912		2013
Development and validation of liquid chromatography-tandem mass spectrometry method for simultaneous determination of four tertiary alkaloids in rat plasma and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Volume: 72		2013
Chromatographic lipophilicity determination using large volume injections of the solvents non-miscible with the mobile phase.
Journal of chromatography. A, Nov-30, Volume: 1266		2012
Dispersive liquid-liquid microextraction combined with microvolume spectrophotometry to turn green the 5530 APHA standard method for determining phenols in water and wastewater.
Talanta, Aug-30, Volume: 98		2012
Development of a LC-MS method for quantification of FK-3000 and its application to in vivo pharmacokinetic study in drug development.
Journal of pharmaceutical and biomedical analysis, Volume: 70		2012
LC-ESI-MS/MS analysis and pharmacokinetics of 6'-hydroxy justicidin A, a potential antitumor active component isolated from Justicia procumbens, in rats.
Journal of pharmaceutical and biomedical analysis, Volume: 70		2012
A simple and rapid 3D view method for selective and sensitive determination of paclitaxel in micro volume rat plasma by LC-diode array UV and its application to a pharmacokinetic study.
Journal of chromatographic science, Volume: 50, Issue: 3		2012
Sensitive determination of barbiturates in biological matrix by capillary electrophoresis using online large-volume sample stacking.
Journal of forensic sciences, Volume: 57, Issue: 3		2012
Phase transfer membrane supported liquid-liquid-liquid microextraction combined with large volume sample injection capillary electrophoresis-ultraviolet detection for the speciation of inorganic and organic mercury.
Journal of chromatography. A, Dec-30, Volume: 1218, Issue: 52		2011
Quantitative analysis of atractylenolide I in rat plasma by LC-MS/MS method and its application to pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Jan-25, Volume: 58		2012
Why ultra high performance liquid chromatography produces more tailing peaks than high performance liquid chromatography, why it does not matter and how it can be addressed.
Journal of chromatography. A, Sep-28, Volume: 1218, Issue: 39		2011
Liquid chromatography-tandem mass spectroscopic method for the determination of zerumbone in human plasma and its application to pharmacokinetics.
Journal of mass spectrometry : JMS, Volume: 46, Issue: 8		2011
HPLC method for determination of diclofenac in human plasma and its application to a pharmacokinetic study in Turkey.
Journal of chromatographic science, Volume: 49, Issue: 6		2011
Large-volume sample on-line concentration of angiotensins in non-aqueous capillary electrophoresis.
Electrophoresis, Volume: 32, Issue: 12		2011
Rapid and sensitive determination of vinorelbine in human plasma by liquid chromatography-tandem mass spectrometry and its pharmacokinetic application.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Mar-15, Volume: 879, Issue: 9-10		2011
Quantification of CPT13 in rat plasma using LC-MS/MS for a pharmacokinetic study.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Mar-01, Volume: 879, Issue: 7-8		2011
Effects of the gradient profile, sample volume and solvent on the separation in very fast gradients, with special attention to the second-dimension gradient in comprehensive two-dimensional liquid chromatography.
Journal of chromatography. A, Apr-15, Volume: 1218, Issue: 15		2011
The role of ion-pairing in peak deformations in overloaded reversed-phase chromatography of peptides.
Journal of chromatography. A, Nov-05, Volume: 1217, Issue: 45		2010
Development and validation of a high-performance liquid chromatography-tandem mass spectrometry method for the determination of the novel proteasome inhibitor CEP-18770 in human plasma and its application in a clinical pharmacokinetic study.
Journal of mass spectrometry : JMS, Volume: 45, Issue: 11		2010
Determination of oxaceprol in rat plasma by LC-MS/MS and its application in a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Jan-05, Volume: 54, Issue: 1		2011
Determination of cefazedone in human plasma by high performance liquid chromatography-tandem mass spectrometry: Application to a pharmacokinetic study on Chinese volunteers.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Oct-15, Volume: 878, Issue: 28		2010
Determination of the unstable drug otilonium bromide in human plasma by LC-ESI-MS and its application to a pharmacokinetic study.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Oct-15, Volume: 878, Issue: 28		2010
Comparison of common mobile-phase volume markers with polar-group-containing reversed-phase stationary phases.
Journal of separation science, Volume: 33, Issue: 15		2010
Determination of piracetam in rat plasma by LC-MS/MS and its application to pharmacokinetics.
Biomedical chromatography : BMC, Volume: 24, Issue: 10		2010
Approaches to characterise chromatographic column performance based on global parameters accounting for peak broadening and skewness.
Journal of chromatography. A, Apr-02, Volume: 1217, Issue: 14		2010
Peak half-width plots to study the effect of organic solvents on the peak performance of basic drugs in micellar liquid chromatography.
Journal of chromatography. A, Mar-12, Volume: 1217, Issue: 11		2010
An improved LC-MS/MS method for simultaneous determination of 1,5-dicaffeoylquinic acid and its active metabolites in human plasma and its application to a pharmacokinetic study in patients.
Biomedical chromatography : BMC, Volume: 24, Issue: 9		2010
Determination of dexmedetomidine in human plasma using high performance liquid chromatography coupled with tandem mass spectrometric detection: application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Dec-05, Volume: 50, Issue: 5		2009
Optimization and validation of an ion-pair RP-HPLC-UV method for the determination of total free iodine in rabbit plasma: application to a pharmacokinetic study.
Biomedical chromatography : BMC, Volume: 23, Issue: 11		2009
Development and validation of a highly sensitive and robust LC-ESI-MS/MS method for simultaneous quantitation of simvastatin acid, amlodipine and valsartan in human plasma: application to a clinical pharmacokinetic study.
Biomedical chromatography : BMC, Volume: 23, Issue: 6		2009
HPLC determination of irbesartan in human plasma: its application to pharmacokinetic studies.
Biomedical chromatography : BMC, Volume: 23, Issue: 6		2009
Development and validation of an HPLC-DAD method for bis(12)-hupyridone and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Feb-20, Volume: 49, Issue: 2		2009
Peak capacity estimation in isocratic elution.
Journal of chromatography. A, Sep-26, Volume: 1205, Issue: 1-2		2008
Oral and i.v. pharmacokinetics of isosteviol in rats as assessed by a new sensitive LC-MS/MS method.
Journal of pharmaceutical and biomedical analysis, Nov-04, Volume: 48, Issue: 3		2008
Development and validation of an HPLC method for vancomycin and its application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Nov-04, Volume: 48, Issue: 3		2008
Blood sampling without blood draws for in vivo pharmacokinetic studies in rats.
Journal of pharmaceutical and biomedical analysis, Aug-05, Volume: 47, Issue: 4-5		2008
Simultaneous determination of harpagoside and cinnamic acid in rat plasma by liquid chromatography electrospray ionization mass spectrometry and its application to pharmacokinetic studies.
Biomedical chromatography : BMC, Volume: 22, Issue: 1		2008
Determination and pharmacokinetic study of norcantharidin in human serum by HPLC-MS/MS method.
Biomedical chromatography : BMC, Volume: 22, Issue: 1		2008
Gradient elution separation and peak capacity of columns packed with porous shell particles.
Journal of chromatography. A, Sep-07, Volume: 1163, Issue: 1-2		2007
Prediction of peak shape in hydro-organic and micellar-organic liquid chromatography as a function of mobile phase composition.
Journal of chromatography. A, Sep-07, Volume: 1163, Issue: 1-2		2007
Simultaneous determination of sildenafil and N-desmethyl sildenafil in human plasma by high-performance liquid chromatography method using electrochemical detection with application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Jan-17, Volume: 43, Issue: 2		2007
On-line low-volume transesterification-based assay for immobilized lipases.
Journal of biotechnology, Dec-01, Volume: 126, Issue: 4		2006
Stearic acid solubility and cubic phase volume.
Chemistry and physics of lipids, Volume: 142, Issue: 1-2		2006
Effect of sample solvent on the chromatographic peak shape of analytes eluted under reversed-phase liquid chromatogaphic conditions.
Journal of chromatography. A, Jun-30, Volume: 1119, Issue: 1-2		2006
HPLC method for analysis of a new 1,4-dihydropyridine: application to pharmacokinetic study in rabbit.
Journal of pharmaceutical and biomedical analysis, Feb-13, Volume: 40, Issue: 2		2006
HPLC determination and pharmacokinetic studies of salvianolic acid B in rat plasma after oral administration of Radix Salviae Miltiorrhizae extract.
Biomedical chromatography : BMC, Volume: 19, Issue: 1		2005
Determination of piceatannol in rat serum and liver microsomes: pharmacokinetics and phase I and II biotransformation.
Biomedical chromatography : BMC, Volume: 18, Issue: 8		2004
Simple and extractionless high-performance liquid chromatographic determination of rosiglitazone in human plasma and application to pharmacokinetics in humans.
Biomedical chromatography : BMC, Volume: 18, Issue: 8		2004
High-performance liquid chromatographic determination of liposomal nystatin in plasma and tissues for pharmacokinetic and tissue distribution studies.
Journal of chromatography. B, Biomedical sciences and applications, Nov-26, Volume: 735, Issue: 1		1999
Determination of low levels of an antioxidant in polyolefins by large-volume injection temperature-programmed packed capillary liquid chromatography.
Journal of chromatography. A, Dec-09, Volume: 864, Issue: 1		1999
Determination of zolpidem in serum microsamples by high-performance liquid chromatography and its application to pharmacokinetics in rats.
Journal of chromatography. B, Biomedical sciences and applications, Nov-12, Volume: 734, Issue: 2		1999
Chemometric approach to the treatment of benzodiazepine separation and peak broadening in capillary electrophoresis.
Journal of chromatography. A, Jul-23, Volume: 849, Issue: 2		1999
A high-performance liquid chromatographic assay for the determination of itraconazole concentration using solid-phase extraction and small sample volume.
Therapeutic drug monitoring, Volume: 17, Issue: 5		1995
Determination of alprazolam and its major metabolites in serum microsamples by high-performance liquid chromatography and its application to pharmacokinetics in rats.
Journal of chromatography. B, Biomedical applications, Mar-18, Volume: 654, Issue: 1		1994
Assay of ibuprofen in human plasma by rapid and sensitive reversed-phase high-performance liquid chromatography:application to a single dose pharmacokinetic study.
Journal of chromatographic science, Volume: 29, Issue: 1		1991
Liquid chromatography assay for amlodipine: chemical stability and pharmacokinetics in rabbits.
Journal of pharmaceutical and biomedical analysis, Volume: 9, Issue: 7		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (14)

ArticleYear
Polymorphic properties and dissolution profile of efavirenz due to solvents recrystallization.
Pakistan journal of pharmaceutical sciences, Volume: 32, Issue: 3		2019
Development and validation of a liquid chromatography tandem mass spectrometry assay for AZD3965 in mouse plasma and tumor tissue: Application to pharmacokinetic and breast tumor xenograft studies.
Journal of pharmaceutical and biomedical analysis, Jun-05, Volume: 155		2018
[Determination of equilibrium solubility and n-octanol/water partition coefficient of pulchinenosiden D by HPLC].
Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 39, Issue: 9		2014
Ultra high performance liquid chromatography/tandem mass spectrometry based identification of steroid esters in serum and plasma: an efficient strategy to detect natural steroids abuse in breeding and racing animals.
Journal of chromatography. A, Apr-05, Volume: 1284		2013
Pharmacokinetics and brain penetration of LF-3-88, (2-[5-[5-(2(S)-azetidinylmethoxyl)-3-pyridyl]-3-isoxazolyl]ethanol), a selective α4β2-nAChR partial agonist and promising antidepressant.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jan-01, Volume: 912		2013
LC-ESI-MS/MS analysis and pharmacokinetics of 6'-hydroxy justicidin A, a potential antitumor active component isolated from Justicia procumbens, in rats.
Journal of pharmaceutical and biomedical analysis, Volume: 70		2012
Simple and rapid HPLC-UV method using an ultrafine particle octadecylsilane for determination of residual fentanyl in applied Durotep MT transdermal matrix patches and its clinical application.
Chemical & pharmaceutical bulletin, Volume: 60, Issue: 1		2012
Stability-indicating ultra-performance liquid chromatography method for the estimation of thymoquinone and its application in biopharmaceutical studies.
Biomedical chromatography : BMC, Volume: 25, Issue: 5		2011
Oral and i.v. pharmacokinetics of isosteviol in rats as assessed by a new sensitive LC-MS/MS method.
Journal of pharmaceutical and biomedical analysis, Nov-04, Volume: 48, Issue: 3		2008
Stability and in vitro release profile of enalapril maleate from different commercially available tablets: possible therapeutic implications.
Journal of pharmaceutical and biomedical analysis, Aug-05, Volume: 47, Issue: 4-5		2008
High throughput UV method for the estimation of thermodynamic solubility and the determination of the solubility in biorelevant media.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Mar-03, Volume: 33, Issue: 3		2008
Novel ultra-rapid freezing particle engineering process for enhancement of dissolution rates of poorly water-soluble drugs.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, Volume: 65, Issue: 1		2007
Quantitation of an orally available thrombin inhibitor in rat, monkey and human plasma and in human urine by high-performance liquid chromatography and fluorescent post-column derivatization of arginine.
Journal of chromatography. A, Feb-21, Volume: 762, Issue: 1-2		1997
Partition behavior of anilines in bulk-phase and high-performance liquid chromatographic systems: influence on correlation with biological constants.
Journal of pharmaceutical sciences, Volume: 81, Issue: 7		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (47)

ArticleYear
RP-HPLC based method for the determination of Tamsulosin HCl in API, Prepared dosage form and spiked plasma.
Pakistan journal of pharmaceutical sciences, Volume: 32, Issue: 6(Suppleme		2019
An Orthogonal Approach for Determination of Acetamide Content in Pharmaceutical Drug Substance and Base-Contaminated Acetonitrile by GC and GC-MS External Method.
Journal of chromatographic science, Oct-17, Volume: 57, Issue: 9		2019
Polymorphic properties and dissolution profile of efavirenz due to solvents recrystallization.
Pakistan journal of pharmaceutical sciences, Volume: 32, Issue: 3		2019
Validated Stability Indicating High Performance Liquid Chromatographic Determination of Lesinurad.
Journal of chromatographic science, Apr-01, Volume: 56, Issue: 4		2018
Kinetic Profiling of the Hydrolytic Reaction of Benazepril: Metabolic Pathway Simulation.
Journal of AOAC International, Jul-01, Volume: 101, Issue: 4		2018
Reliable and Easy-To-Use Liquid Chromatography-Tandem Mass Spectrometry Method for Simultaneous Analysis of Fluconazole, Isavuconazole, Itraconazole, Hydroxy-Itraconazole, Posaconazole, and Voriconazole in Human Plasma and Serum.
Therapeutic drug monitoring, Volume: 39, Issue: 5		2017
Hydrophilic interaction liquid chromatography in analysis of granisetron HCl and its related substances. Retention mechanisms and method development.
Journal of pharmaceutical and biomedical analysis, May-10, Volume: 123		2016
Matrix effect on leaching of Bisphenol A diglycidyl ether (BADGE) from epoxy resin based inner lacquer of aluminium tubes into semi-solid dosage forms.
European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V, Volume: 101		2016
An Efficient Ion-Pair Liquid Chromatographic Method for the Determination of Some H2 Receptor Antagonists.
Journal of chromatographic science, Volume: 54, Issue: 3		2016
Dissipation behaviour of spinosad in polyhouse grown tomato under mid-hill conditions of Himachal Pradesh, India.
Environmental monitoring and assessment, Volume: 187, Issue: 3		2015
Sequential cloud-point extraction for toxicological screening analysis of medicaments in human plasma by high pressure liquid chromatography with diode array detector.
Journal of chromatography. A, Oct-18, Volume: 1312		2013
Chemometrically assissted optimization and validation of RP-HPLC method for the analysis of itraconazole and its impurities.
Acta pharmaceutica (Zagreb, Croatia), Volume: 63, Issue: 2		2013
Quantitative determination of the Fusarium mycotoxins beauvericin, enniatin A, A1, B and B1 in pig plasma using high performance liquid chromatography-tandem mass spectrometry.
Talanta, Mar-15, Volume: 106		2013
Effects of solvents and crystallization conditions on the polymorphic behaviors and dissolution rates of valsartan.
Archives of pharmacal research, Volume: 35, Issue: 7		2012
Rapid enantiomeric separation and simultaneous determination of phenethylamines by ultra high performance liquid chromatography with fluorescence and mass spectrometric detection: application to the analysis of illicit drugs distributed in the Japanese ma
Drug testing and analysis, Volume: 4, Issue: 12		2012
Simultaneous HPTLC and RP-HPLC methods for determination of bumadizone in the presence of its alkaline-induced degradation product.
Biomedical chromatography : BMC, Volume: 26, Issue: 10		2012
Rapid simultaneous determination of voriconazole and its N-oxide in human plasma using an isocratic high-performance liquid chromatography method and its clinical application.
Clinical biochemistry, Volume: 45, Issue: 1-2		2012
Stability indicating LC method for the simultaneous determination of amlodipine and olmesartan in dosage form.
Journal of chromatographic science, Volume: 48, Issue: 7		2010
Liquid chromatography/tandem mass spectrometry sensitivity enhancement via online sample dilution and trapping: applications in microdosing and dried blood spot (DBS) bioanalysis.
Rapid communications in mass spectrometry : RCM, Sep-15, Volume: 24, Issue: 17		2010
Combined effect of polarity and pH on the chromatographic behavior of some angiotensin II receptor antagonists and optimization of their determination in pharmaceutical dosage forms.
Journal of pharmaceutical and biomedical analysis, Nov-02, Volume: 53, Issue: 3		2010
Dissipation and residues of nicosulfuron in corn and soil under field conditions.
Bulletin of environmental contamination and toxicology, Volume: 85, Issue: 1		2010
A simple and rapid high-performance liquid chromatographic method for the determination of bisoprolol fumarate and hydrochlorothiazide in a tablet dosage form.
Journal of pharmaceutical and biomedical analysis, Nov-04, Volume: 48, Issue: 3		2008
Oral and i.v. pharmacokinetics of isosteviol in rats as assessed by a new sensitive LC-MS/MS method.
Journal of pharmaceutical and biomedical analysis, Nov-04, Volume: 48, Issue: 3		2008
Blood sampling without blood draws for in vivo pharmacokinetic studies in rats.
Journal of pharmaceutical and biomedical analysis, Aug-05, Volume: 47, Issue: 4-5		2008
Assay of artemether, methylparaben and propylparaben in a formulated paediatric antimalarial dry suspension.
Journal of pharmaceutical and biomedical analysis, Jan-17, Volume: 43, Issue: 2		2007
Simultaneous determination of sildenafil and N-desmethyl sildenafil in human plasma by high-performance liquid chromatography method using electrochemical detection with application to a pharmacokinetic study.
Journal of pharmaceutical and biomedical analysis, Jan-17, Volume: 43, Issue: 2		2007
Development and validation of a reversed-phase HPLC method for the determination of ezetimibe in pharmaceutical dosage forms.
Journal of pharmaceutical and biomedical analysis, Sep-15, Volume: 39, Issue: 3-4		2005
Determination of tramadol hydrochloride in ampoule dosage forms by using UV spectrophotometric and HPLC-DAD methods in methanol and water media.
Farmaco (Societa chimica italiana : 1989), Volume: 60, Issue: 2		2005
Determination of lovastatin and simvastatin in pharmaceutical dosage forms by MEKC.
Journal of pharmaceutical and biomedical analysis, Jul-20, Volume: 29, Issue: 4		2002
Determination of the nutraceutical, glucosamine hydrochloride, in raw materials, dosage forms and plasma using pre-column derivatization with ultraviolet HPLC.
Journal of pharmaceutical and biomedical analysis, Volume: 20, Issue: 5		1999
High-performance liquid chromatographic determination of stabilized 4-hydroxyifosfamide in human plasma and erythrocytes.
Journal of chromatography. B, Biomedical sciences and applications, Sep-25, Volume: 716, Issue: 1-2		1998
Separation of paclitaxel and related taxanes by micellar electrokinetic capillary chromatography.
Analytical chemistry, Mar-01, Volume: 70, Issue: 5		1998
Determination of pentobarbital and pentobarbital sodium in bulk drug substance and dosage forms by high-performance liquid chromatography.
Journal of pharmaceutical and biomedical analysis, Volume: 16, Issue: 1		1997
Sweat testing for heroin and metabolites in a heroin maintenance program.
Clinical chemistry, Volume: 43, Issue: 5		1997
Quantitative analysis of cefradine by liquid chromatography on poly(styrene-divinylbenzene).
Journal of pharmaceutical and biomedical analysis, Volume: 11, Issue: 2		1993
Chromatographic analysis of selected tetracyclines from dosage forms and bulk drug substance using polymeric columns with acidic mobile phases.
Journal of pharmaceutical and biomedical analysis, Volume: 12, Issue: 5		1994
Acetone potentiation of acute acetonitrile toxicity in rats.
Journal of toxicology and environmental health, Volume: 15, Issue: 5		1985
Evaluation of the teratogenic potential of three aliphatic nitriles in the rat.
Fundamental and applied toxicology : official journal of the Society of Toxicology, Volume: 7, Issue: 1		1986
Acetonitrile serum concentrations and cyanide blood levels in a case of suicidal oral acetonitrile ingestion.
Journal of toxicology. Clinical toxicology, Volume: 29, Issue: 4		1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (9)

ArticleYear
Determination of finasteride and its metabolite in urine by dispersive liquid-liquid microextraction combined with field-enhanced sample stacking and sweeping.
Journal of chromatography. A, Apr-27, Volume: 1547		2018
Solid-phase extraction in combination with dispersive liquid-liquid microextraction and ultra-high performance liquid chromatography-tandem mass spectrometry analysis: the ultra-trace determination of 10 antibiotics in water samples.
Analytical and bioanalytical chemistry, Volume: 408, Issue: 6		2016
Hydrophilic interaction chromatography combined with dispersive liquid-liquid microextraction as a preconcentration tool for the simultaneous determination of the panel of underivatized neurotransmitters in human urine samples.
Journal of chromatography. A, Jan-29, Volume: 1431		2016
Salting-out assisted liquid-liquid extraction combined with capillary HPLC for the determination of sulfonylurea herbicides in environmental water and banana juice samples.
Talanta, Volume: 127		2014
Dispersive liquid-liquid microextraction combined with ultra-high performance liquid chromatography for the simultaneous determination of 25 sulfonamide and quinolone antibiotics in water samples.
Journal of pharmaceutical and biomedical analysis, Mar-05, Volume: 75		2013
Dispersive solid-phase extraction cleanup combined with accelerated solvent extraction for the determination of carbamate pesticide residues in Radix Glycyrrhizae samples by UPLC-MS-MS.
Journal of chromatographic science, Volume: 49, Issue: 9		2011
Development and optimization of simplified LC-MS/MS quantification of 25-hydroxyvitamin D using protein precipitation combined with on-line solid phase extraction (SPE).
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Feb-01, Volume: 883-884		2012
Phase transfer membrane supported liquid-liquid-liquid microextraction combined with large volume sample injection capillary electrophoresis-ultraviolet detection for the speciation of inorganic and organic mercury.
Journal of chromatography. A, Dec-30, Volume: 1218, Issue: 52		2011
Characterization of gel-separated glycoproteins using two-step proteolytic digestion combined with sequential microcolumns and mass spectrometry.
Molecular & cellular proteomics : MCP, Volume: 4, Issue: 2		2005
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]