Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzyl alcohol | [no description available] | medium | 3 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
catechol | [no description available] | medium | 5 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
naphthalene | [no description available] | medium | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
phenol | [no description available] | medium | 2 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
albuterol | [no description available] | medium | 3 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
betaxolol | [no description available] | medium | 1 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
metaproterenol | [no description available] | medium | 1 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
pronethalol | [no description available] | medium | 1 | 0 | naphthalenes | |
resorcinol | [no description available] | medium | 5 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
salicylamide | [no description available] | medium | 2 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sotalol | [no description available] | medium | 1 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
terbutaline | [no description available] | medium | 2 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
tulobuterol | [no description available] | medium | 1 | 0 | organochlorine compound | |
2-aminophenol | [no description available] | medium | 3 | 0 | aminophenol | bacterial metabolite |
nifenalol | [no description available] | medium | 1 | 0 | C-nitro compound | |
2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
n-propylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
3-xylene | [no description available] | medium | 1 | 0 | xylene | |
chlorobenzene | [no description available] | medium | 2 | 0 | monochlorobenzenes | solvent |
sec-butylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
toliprolol | [no description available] | medium | 1 | 0 | aromatic ether | |
deterenol | [no description available] | medium | 1 | 0 | | |
colterol | [no description available] | medium | 1 | 0 | catechols; ethanolamines; secondary alcohol; secondary amino compound; triol | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent |
prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
propranolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
cyclopropylbenzene | [no description available] | medium | 1 | 0 | | |
stavudine | [no description available] | medium | 3 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
cyclosaligenyl-2',3'-didehydro-2',3'-dideoxythymidine monophosphate | [no description available] | medium | 1 | 0 | | |
4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
3-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
guaiacol | [no description available] | medium | 2 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
hydroquinone | [no description available] | medium | 5 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
acetaminophen | [no description available] | medium | 1 | 0 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
2-tert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
2,6-di-tert-butyl-4-hydroxymethylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
2-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | |
2-nitrophenol | [no description available] | medium | 1 | 0 | 2-nitrophenols | |
2-ethylphenol | [no description available] | medium | 1 | 0 | phenols | |
pyrogallol 1,3-dimethyl ether | [no description available] | medium | 1 | 0 | dimethoxybenzene; phenols | plant metabolite |
2-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | marine metabolite |
2-chlorophenol | [no description available] | medium | 1 | 0 | 2-halophenol; monochlorophenol | |
2-amino-4-methylphenol | [no description available] | medium | 1 | 0 | | |
2,4-di-tert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
3-dimethylaminophenol | [no description available] | medium | 1 | 0 | | |
4-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
2,4-dimethylphenol | [no description available] | medium | 1 | 0 | aromatic fungicide; phenols | disinfectant; volatile oil component |
4-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
3-chlorophenol | [no description available] | medium | 2 | 0 | monochlorophenol | |
syringaldehyde | [no description available] | medium | 1 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
3-hydroxyanisole | [no description available] | medium | 1 | 0 | monomethoxybenzene; phenols | |
mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
2-fluorophenol | [no description available] | medium | 1 | 0 | | |
4-fluorophenol | [no description available] | medium | 1 | 0 | fluorophenol; monofluorobenzenes | |
3-fluorophenol | [no description available] | medium | 1 | 0 | | |
4-methylcatechol | [no description available] | medium | 1 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
topanol 354 | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
2,4,6-trimethylphenol | [no description available] | medium | 1 | 0 | hydroxytoluene | |
2-iodophenol | [no description available] | medium | 1 | 0 | 2-halophenol; iodophenol | |
4-iodophenol | [no description available] | medium | 1 | 0 | iodophenol | |
3-nitrophenol | [no description available] | medium | 1 | 0 | 3-nitrophenols | |
2,6-xylenol | [no description available] | medium | 1 | 0 | hydroxytoluene | |
3-bromophenol | [no description available] | medium | 1 | 0 | | |
3-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | |
2-cyanophenol | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
3-ethylphenol | [no description available] | medium | 1 | 0 | phenols | |
3-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides; phenols | non-narcotic analgesic |
4-Ethoxyphenol | [no description available] | medium | 1 | 0 | aromatic ether; phenols | |
2-propylphenol | [no description available] | medium | 1 | 0 | phenols | flavouring agent; plant metabolite |
4-propylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
2,4,6-tri-tert-butylphenol | [no description available] | medium | 1 | 0 | | |
4-cyanophenol | [no description available] | medium | 1 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
4-phenoxyphenol | [no description available] | medium | 1 | 0 | phenoxyphenol | |
4-n-Butylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-octylphenol | [no description available] | medium | 1 | 0 | phenols | metabolite; surfactant; xenoestrogen |
2-tert-butyl-4-methylphenol | [no description available] | medium | 1 | 0 | | |
acetosyringone | [no description available] | medium | 1 | 0 | acetophenones; dimethoxybenzene; phenols | anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
butylated hydroxyanisole | [no description available] | medium | 1 | 0 | | |
4-n-Pentylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-ethylphenol | [no description available] | medium | 1 | 0 | phenols | fungal xenobiotic metabolite |
butylated hydroxytoluene | [no description available] | medium | 1 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
2,6-di-tert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene; phenols | antioxidant |
4-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
guaethol | [no description available] | medium | 1 | 0 | aromatic ether; phenols; volatile organic compound | flavouring agent |
2,6-di-tert-butyl-4-nitrophenol | [no description available] | medium | 1 | 0 | | |
3,5-di-tert-butyl-4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | |
equilenin | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid | antioxidant; mammalian metabolite |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
2-amino-4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | |
sinapaldehyde | [no description available] | medium | 1 | 0 | cinnamaldehydes; dimethoxybenzene; phenols | antifungal agent; plant metabolite |
2,3-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
protocatechuic acid | [no description available] | medium | 1 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
anthranilic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
salicylic acid | [no description available] | medium | 7 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
malonic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
aspirin | [no description available] | medium | 3 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
2,5-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite |
mesalamine | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic |
5-methylsalicylic acid | [no description available] | medium | 1 | 0 | | |
5-nitrosalicylic acid | [no description available] | medium | 1 | 0 | 4-nitrophenols; monohydroxybenzoic acid | |
gamma-resorcylic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | metabolite |
2-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; phenols | human metabolite; mouse metabolite |
2-aminobenzyl alcohol | [no description available] | medium | 2 | 0 | | |
4-aminobenzyl alcohol | [no description available] | medium | 1 | 0 | | |
salicylaldehyde | [no description available] | medium | 6 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
1,2-diaminobenzene | [no description available] | medium | 1 | 0 | phenylenediamine | hydrogen donor |
ethyl salicylate | [no description available] | medium | 1 | 0 | hydroxybenzoic acid | |
1,3-benzodioxole | [no description available] | medium | 1 | 0 | benzodioxole | |
hydroxyhydroquinone | [no description available] | medium | 1 | 0 | benzenetriol | mouse metabolite |
1,8-dihydroxynaphthalene | [no description available] | medium | 1 | 0 | naphthalenediol | fungal metabolite |
1,2-benzenedithiol | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxybenzylamine | [no description available] | medium | 1 | 0 | catechols | |
3,4-dihydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | | |
a 3253 | [no description available] | medium | 1 | 0 | catechols | |
methyl 3,4-dihydroxybenzoate | [no description available] | medium | 1 | 0 | catechols; methyl ester | antioxidant; neuroprotective agent; plant metabolite |
Nomega-hydroxy-nor-l-arginine | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
(S)-2-amino-6-boronohexanoic acid | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid; organoboron compound | |
flavoglaucin | [no description available] | medium | 1 | 0 | hydroquinones | metabolite |
shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2,5-dihydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
2'-hydroxy-2,4,4,7,4'-pentamethylflavan | [no description available] | medium | 1 | 0 | | |
glycosides | [no description available] | medium | 5 | 0 | | |
benzyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester; benzyl ester | acaricide; plant metabolite; scabicide |
benzoyl-coenzyme a | [no description available] | medium | 1 | 0 | | |
cinnamoyl-coenzyme a | [no description available] | medium | 1 | 0 | cinnamoyl-CoA | |
glucose, (beta-d)-isomer | [no description available] | medium | 14 | 0 | D-glucopyranose | epitope; mouse metabolite |
tremulacin | [no description available] | medium | 1 | 0 | glycoside | |
salicin | [no description available] | medium | 10 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
salicortin | [no description available] | medium | 2 | 0 | glycoside | |
dimedone | [no description available] | medium | 1 | 0 | | |
tiletamine hydrochloride | [no description available] | medium | 1 | 0 | | |
xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
tannins | [no description available] | medium | 1 | 0 | | |
methyl salicylate | [no description available] | medium | 1 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
4-hydroxybenzyl alcohol | [no description available] | medium | 2 | 0 | benzyl alcohols; phenols | plant metabolite |
uridine diphosphate glucose | [no description available] | medium | 1 | 0 | UDP-D-glucose | fundamental metabolite |
phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
salicylates | [no description available] | medium | 5 | 0 | monohydroxybenzoate | plant metabolite |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
2-chloro-4-nitrophenol | [no description available] | medium | 1 | 0 | | |
phloroglucinol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | algal metabolite |
nitrophenols | [no description available] | medium | 1 | 0 | | |
tri-o-cresyl phosphate | [no description available] | medium | 3 | 0 | | |
trioctylmethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
boric acid | [no description available] | medium | 1 | 0 | boric acids | astringent |
boron | [no description available] | medium | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
iridoids | [no description available] | medium | 1 | 0 | | |
hydrogen sulfite | [no description available] | medium | 1 | 0 | sulfur oxoanion | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
organophosphonates | [no description available] | medium | 1 | 0 | divalent inorganic anion; phosphite ion | |
methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
propylparaben | [no description available] | medium | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
acebutolol | [no description available] | medium | 1 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
verapamil | [no description available] | medium | 2 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
myelin basic protein | [no description available] | medium | 1 | 0 | | |
flavin-adenine dinucleotide | [no description available] | medium | 1 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
berotek | [no description available] | medium | 1 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
piperidines | [no description available] | medium | 1 | 0 | | |
isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
hexoprenaline | [no description available] | medium | 1 | 0 | | |
formaldehyde | [no description available] | medium | 1 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
salithion | [no description available] | medium | 1 | 0 | organic thiophosphate | |
leucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
tetracycline | [no description available] | medium | 1 | 0 | | |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
potassium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
paraoxon | [no description available] | medium | 1 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
phenylephrine | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
arbutin | [no description available] | medium | 2 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
D-fructopyranose | [no description available] | medium | 1 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
syringomycin | [no description available] | medium | 1 | 0 | | |
phenyl acetate | [no description available] | medium | 2 | 0 | benzenes; phenyl acetates | |
cadmium | [no description available] | medium | 1 | 0 | cadmium molecular entity; zinc group element atom | |
kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
alpha-ketoadipic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | human urinary metabolite; mouse metabolite |
butyric acid | [no description available] | low | 0 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
niacinamide | [no description available] | low | 0 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
niacin | [no description available] | low | 0 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
3-methoxytyramine | [no description available] | low | 0 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
vitamin k 3 | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
trigonelline | [no description available] | low | 0 | 0 | alkaloid; iminium betaine | food component; human urinary metabolite; plant metabolite |
androsterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
n-hexanal | [no description available] | low | 0 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
pyridoxic acid | [no description available] | low | 0 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | human urinary metabolite; mouse metabolite |
benzohydrol | [no description available] | low | 0 | 0 | benzyl alcohols; secondary alcohol | bacterial xenobiotic metabolite; human urinary metabolite; human xenobiotic metabolite; rat metabolite |
(3,4-dimethoxyphenyl)acetic acid | [no description available] | low | 0 | 0 | dimethoxybenzene; phenylacetic acids | human urinary metabolite; human xenobiotic metabolite |
4-cymene | [no description available] | low | 0 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
3,4,5-trimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzoic acids; methoxybenzenes | human urinary metabolite; human xenobiotic metabolite; plant metabolite |
2-naphthol | [no description available] | low | 0 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
2-methylfuran | [no description available] | low | 0 | 0 | furans; volatile organic compound | flavouring agent; fuel; hepatotoxic agent; human urinary metabolite; plant metabolite |
3-methoxybenzoic acid | [no description available] | low | 0 | 0 | methoxybenzoic acid | flavouring agent; human urinary metabolite |
3-tyramine | [no description available] | low | 0 | 0 | primary amino compound; tyramines | human urinary metabolite; neurotransmitter |
2,5-dimethylfuran | [no description available] | low | 0 | 0 | furans | antifungal agent; bacterial metabolite; fuel; fumigant; human urinary metabolite; Maillard reaction product; plant metabolite |
3-methyladipic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human urinary metabolite |
nitrohexane | [no description available] | low | 0 | 0 | primary nitroalkane | human urinary metabolite |
5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether; indole-3-acetic acids | antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite |
2-pentylfuran | [no description available] | low | 0 | 0 | furans | Aspergillus metabolite; bacterial metabolite; flavouring agent; human urinary metabolite; insect repellent; plant growth stimulator; volatile oil component |
3,5,6-trichloro-2-pyridinol | [no description available] | low | 0 | 0 | chloropyridine; hydroxypyridine; pyridone | human urinary metabolite; human xenobiotic metabolite; marine xenobiotic metabolite |
s-methylcysteine | [no description available] | low | 0 | 0 | S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine | human urinary metabolite; plant metabolite |
4-anisaldehyde | [no description available] | low | 0 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
4-heptanone | [no description available] | low | 0 | 0 | dialkyl ketone | biomarker; human urinary metabolite; human xenobiotic metabolite; rat metabolite |
4-vinylphenol | [no description available] | low | 0 | 0 | phenols | human urinary metabolite; human xenobiotic metabolite |
1,2,4-triazole-3-carboxamide | [no description available] | low | 0 | 0 | aromatic amide; monocarboxylic acid amide; primary carboxamide; triazoles | drug metabolite; human urinary metabolite |
estradiol 17-sulfate | [no description available] | low | 0 | 0 | 3-hydroxy steroid; phenolic steroid; steroid sulfate | human urinary metabolite |
n-acetyltyrosine | [no description available] | low | 0 | 0 | N-acetyltyrosine; N-acyl-L-tyrosine | biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite |
nicotinuric acid | [no description available] | low | 0 | 0 | N-acylglycine | human urinary metabolite |
1-methylhypoxanthine | [no description available] | low | 0 | 0 | methylhypoxanthine | human urinary metabolite; rat metabolite |
2,3,4-trihydroxbenzophenone | [no description available] | low | 0 | 0 | benzenetriol; hydroxybenzophenone | drug metabolite; EC 1.14.18.1 (tyrosinase) inhibitor; human urinary metabolite; quorum sensing inhibitor; rat metabolite |
n-myristoylglycine | [no description available] | low | 0 | 0 | fatty amide; N-acylglycine | human blood serum metabolite; human urinary metabolite |
6-hydroxynicotinic acid | [no description available] | low | 0 | 0 | monohydroxypyridine | Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite |
2-(methylamino)isobutyric acid | [no description available] | low | 0 | 0 | alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound | human urinary metabolite |
5-methoxysalicylic acid | [no description available] | low | 0 | 0 | methoxysalicylic acid | bacterial metabolite; human urinary metabolite |
2,5-furandicarboxylic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; furans | human urinary metabolite |
1,3,7-trimethylurate | [no description available] | low | 0 | 0 | oxopurine | human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite |
5-hydroxymethyl-2-furoic acid | [no description available] | medium | 0 | 0 | aromatic primary alcohol; furoic acid | bacterial xenobiotic metabolite; fungal metabolite; human urinary metabolite; nematicide |
acetaminophen mercapturate | [no description available] | low | 0 | 0 | acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine | drug metabolite; human urinary metabolite; rat metabolite |
n-butyrylglycine | [no description available] | low | 0 | 0 | N-acylglycine | human urinary metabolite |
n-acetyltyrosine, (dl)-isomer | [no description available] | low | 0 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
salsolinol | [no description available] | low | 0 | 0 | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
2,8-dihydroxyadenine | [no description available] | low | 0 | 0 | 6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine | human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent |
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid | [no description available] | low | 0 | 0 | alpha-amino acid; aromatic amino acid; beta-carboline alkaloid | human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite |
n-acetyldopamine | [no description available] | low | 0 | 0 | acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide | human urinary metabolite; marine metabolite |
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone | human urinary metabolite |
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; phenols | human urinary metabolite |
arsenocholine | [no description available] | low | 0 | 0 | arsonium ion; organoarsenic compound | human urinary metabolite; marine metabolite; xenobiotic |
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | low | 0 | 0 | nitrosamine; pyridines; secondary alcohol | biomarker; carcinogenic agent; human urinary metabolite |
s-benzyl-n-acetyl-l-cysteine | [no description available] | low | 0 | 0 | organic sulfide; S-substituted N-acetyl-L-cysteine | human urinary metabolite; rat metabolite |
1-hydroxymethylmidazolam | [no description available] | medium | 0 | 0 | aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | drug metabolite; human blood serum metabolite; human urinary metabolite |
gamma-glutamylphenylalanine | [no description available] | low | 0 | 0 | dipeptide | human urinary metabolite |
mono(2-ethyl-5-oxohexyl)phthalate | [no description available] | low | 0 | 0 | methyl ketone; phthalic acid monoester | human urinary metabolite; human xenobiotic metabolite |
testosterone-17-sulfate | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; androstanoid; steroid sulfate | human urinary metabolite |
dopamine 3-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; phenols; primary amino compound; zwitterion | human blood serum metabolite; human urinary metabolite |
estriol-16 alpha-glucuronide | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid | human urinary metabolite |
ursocholic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7beta-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite |
dopamine 4-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; phenols; primary amino compound; zwitterion | human blood serum metabolite; human urinary metabolite |
3-hydroxymethylantipyrine | [no description available] | low | 0 | 0 | pyrazolone | drug metabolite; human urinary metabolite |
4-hydroxymidazolam | [no description available] | low | 0 | 0 | imidazobenzodiazepine; monofluorobenzenes; organic hydroxy compound; organochlorine compound | drug metabolite; human blood serum metabolite; human urinary metabolite |
bay-s 9435 | [no description available] | low | 0 | 0 | cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; organosulfonic acid; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | drug metabolite; human urinary metabolite |
1-hydroxymethylmidazolam glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound | drug metabolite; human blood serum metabolite; human urinary metabolite |
lanthionine ketimine | [no description available] | low | 0 | 0 | 1,4-thiazine; dicarboxylic acid; sulfur-containing amino acid | anti-inflammatory agent; human urinary metabolite; neuroprotective agent |
cystathionine ketimine | [no description available] | low | 0 | 0 | 1-thia-4-azacyclohepta-3-ene-3,5-dicarboxylic acid; sulfur-containing amino acid | human urinary metabolite; mammalian metabolite; rat metabolite; reactive oxygen species generator |
tyramine o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; primary amino compound; zwitterion | human urinary metabolite; human xenobiotic metabolite |
acetyltaurine | [no description available] | low | 0 | 0 | acetamides; organosulfonic acid | human blood serum metabolite; human urinary metabolite |
2-s-cysteinyldopa | [no description available] | low | 0 | 0 | amino dicarboxylic acid; aryl sulfide; catechols; diamine; L-tyrosine derivative; S-conjugate; S-organyl-L-cysteine | human urinary metabolite |
bradykinin, hydroxy-pro(3)- | [no description available] | low | 0 | 0 | oligopeptide; peptide hormone | bradykinin receptor agonist; human urinary metabolite |
mono(2-ethyl-5-hydroxyhexyl) phthalate | [no description available] | low | 0 | 0 | phthalic acid monoester | human urinary metabolite; human xenobiotic metabolite |
5-hydroxyhexanoic acid | [no description available] | low | 0 | 0 | (omega-1)-hydroxy fatty acid; medium-chain fatty acid | human urinary metabolite |
hawkinsin | [no description available] | low | 0 | 0 | cycloalkene; cysteine derivative; dicarboxylic acid; diol; secondary allylic alcohol; tertiary allylic alcohol | biomarker; human urinary metabolite |
3-hydroxyglutaric acid | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid | human blood serum metabolite; human urinary metabolite |
adrenosterone | [no description available] | low | 0 | 0 | 11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite |
3-octanone | [no description available] | low | 0 | 0 | dialkyl ketone | antifeedant; biomarker; fungal metabolite; human urinary metabolite; insect attractant; plant metabolite; toxin |
s-adenosyl-3-methylthiopropylamine | [no description available] | low | 0 | 0 | adenosines; sulfonium compound | Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite |
riboflavin | [no description available] | low | 0 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
n-isovalerylglycine | [no description available] | low | 0 | 0 | N-acylglycine | human urinary metabolite |
s-phenyl-n-acetylcysteine | [no description available] | low | 0 | 0 | aryl sulfide; S-substituted N-acetyl-L-cysteine | biomarker; human urinary metabolite |
3-(1H-imidazol-1-yl)propanoic acid | [no description available] | low | 0 | 0 | imidazolyl carboxylic acid | human urinary metabolite |
kaempferol | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
20-carboxyleukotriene b4 | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; hydroxy carboxylic acid; leukotriene | human blood serum metabolite; human urinary metabolite |
genistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
n-acetylleukotriene e4 | [no description available] | low | 0 | 0 | leukotriene | human urinary metabolite |
methyl 2,5-dihydroxycinnamate | [no description available] | low | 0 | 0 | cinnamate ester; hydroquinones; methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite |
cedrene | [no description available] | low | 0 | 0 | bridged compound; carbotricyclic compound; polycyclic olefin; sesquiterpene | human urinary metabolite; volatile oil component |
5,12-dihydroxy-6,8,14-eicosatrienoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human urinary metabolite; human xenobiotic metabolite |
yunaconitine | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound | antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic |
4-hydroxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid | carcinogenic agent; estrogen; human urinary metabolite |
decanoylcarnitine | [no description available] | low | 0 | 0 | decanoate ester; O-acylcarnitine | human urinary metabolite |
n-isobutyrylglycine | [no description available] | low | 0 | 0 | N-acylglycine | human urinary metabolite |
prolyl-proline | [no description available] | low | 0 | 0 | dipeptide | human urinary metabolite; Mycoplasma genitalium metabolite |
ethyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid | human urinary metabolite |
dihydrotestosterone glucuronide | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; steroid glucosiduronic acid | human urinary metabolite |
3-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | hydroxybenzyl alcohol; phenols | metabolite |
toxopyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic primary alcohol | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
oxamniquine | [no description available] | low | 0 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | low | 0 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
nicotinyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; pyridines | antilipemic drug; vasodilator agent |
aloe emodin | [no description available] | low | 0 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
5-hydroxymethylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
12-hydroxynevirapine | [no description available] | low | 0 | 0 | aromatic primary alcohol; cyclopropanes; dipyridodiazepine | drug metabolite |
4-aminopyridine-3-methanol | [no description available] | low | 0 | 0 | aminopyridine; aromatic amine; aromatic primary alcohol | potassium channel blocker |
gsk 1016790a | [no description available] | low | 0 | 0 | 1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide | TRPV4 agonist |