Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
barbituric acid | [no description available] | high | 23 | 0 | barbiturates | allergen; xenobiotic |
levofloxacin | [no description available] | medium | 1 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
4-methoxycinnamic acid | [no description available] | medium | 1 | 0 | cinnamic acids | |
kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
quercetin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
ethylene | [no description available] | medium | 2 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
ethephon | [no description available] | medium | 1 | 0 | phosphonic acids | plant growth regulator |
pimagedine | [no description available] | medium | 1 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
pyocyanine | [no description available] | medium | 1 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
stilbenes | [no description available] | medium | 4 | 0 | stilbene | |
raffinose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
malondialdehyde | [no description available] | medium | 207 | 4 | dialdehyde | biomarker |
pectins | [no description available] | medium | 2 | 0 | D-galactopyranuronic acid | |
hypochlorous acid | [no description available] | medium | 3 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
carbazole | [no description available] | medium | 1 | 0 | carbazole | |
thiourea | [no description available] | medium | 7 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
triazoles | [no description available] | medium | 2 | 0 | 1,2,3-triazole | |
allopurinol | [no description available] | medium | 18 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
2-aminoacridone | [no description available] | medium | 1 | 0 | acridines | |
singlet oxygen | [no description available] | medium | 2 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
4-anisidine | [no description available] | medium | 1 | 0 | methoxybenzenes; primary amino compound; substituted aniline | genotoxin; reagent |
hydroxyl radical | [no description available] | medium | 22 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
chitosan | [no description available] | medium | 3 | 0 | | |
peroxynitrous acid | [no description available] | medium | 2 | 0 | nitrogen oxoacid | |
cholesteryl ester hydroperoxide | [no description available] | medium | 1 | 0 | | |
sulfaguanidine | [no description available] | medium | 1 | 0 | sulfonamide antibiotic | antiinfective agent |
1,10-phenanthroline | [no description available] | medium | 3 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
1,7-phenanthroline | [no description available] | medium | 3 | 0 | phenanthroline | |
methamphetamine | [no description available] | medium | 2 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
taurine | [no description available] | medium | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
ferric thiocyanate | [no description available] | medium | 7 | 0 | | |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 9 | 0 | | |
methanol | [no description available] | medium | 4 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
nitrates | [no description available] | medium | 10 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
lithocholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
nitrites | [no description available] | medium | 6 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
glycine | [no description available] | medium | 5 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
ascorbic acid | [no description available] | medium | 62 | 2 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
curcumin | [no description available] | medium | 3 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
betadex | [no description available] | medium | 3 | 0 | cyclodextrin | |
rhodanine | [no description available] | medium | 3 | 0 | thiazolidinone | |
indole | [no description available] | medium | 1 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
trichloroacetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
cobalt | [no description available] | medium | 4 | 0 | cobalt group element atom; metal allergen | micronutrient |
nickel | [no description available] | medium | 4 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
beta carotene | [no description available] | medium | 7 | 1 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
linoleic acid | [no description available] | medium | 11 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 1 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
rhodioloside | [no description available] | medium | 1 | 0 | glycoside | |
glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope; mouse metabolite |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
bilirubin | [no description available] | medium | 3 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
acetylcysteine | [no description available] | medium | 7 | 1 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
dimedone | [no description available] | medium | 1 | 0 | | |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
tiletamine hydrochloride | [no description available] | medium | 2 | 0 | | |
methacrylamide | [no description available] | medium | 1 | 0 | acrylamides; primary carboxamide | |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
4-hydroxy-2-nonenal | [no description available] | medium | 6 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
deoxyguanosine | [no description available] | medium | 6 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
selenium | [no description available] | medium | 14 | 4 | chalcogen; nonmetal atom | micronutrient |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 5 | 0 | guanosines | biomarker |
berberine | [no description available] | medium | 2 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
homocysteine | [no description available] | medium | 3 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
triiodothyronine | [no description available] | medium | 1 | 0 | tetrahydrothiophenes; thiolactone | human metabolite |
sulfur | [no description available] | medium | 5 | 1 | chalcogen; nonmetal atom | macronutrient |
urea | [no description available] | medium | 5 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
retinol acetate | [no description available] | medium | 1 | 0 | acetate ester | |
retinol | [no description available] | medium | 2 | 1 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
phosphatidylcholines | [no description available] | medium | 8 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
clay | [no description available] | medium | 1 | 0 | | |
d-alpha tocopherol | [no description available] | medium | 102 | 4 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
tocophersolan | [no description available] | medium | 1 | 0 | tocol | |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
dimethyl sulfoxide | [no description available] | medium | 5 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
gold tetrachloride, acid | [no description available] | medium | 1 | 0 | | |
fluorides | [no description available] | medium | 1 | 0 | halide anion; monoatomic fluorine | |
chlorine | [no description available] | medium | 8 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
3-nitrotyrosine | [no description available] | medium | 4 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
tyrosine | [no description available] | medium | 4 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
cyclic guanosine monophosphate-adenosine monophosphate | [no description available] | medium | 1 | 0 | adenyl ribonucleotide; cyclic purine dinucleotide; guanyl ribonucleotide | |
2-aminopyrimidine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant; radical scavenger |
mocetinostat | [no description available] | medium | 7 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
D-fructopyranose | [no description available] | medium | 4 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
lactic acid | [no description available] | medium | 6 | 2 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 4 | 1 | | |
carnitine | [no description available] | medium | 3 | 1 | amino-acid betaine | human metabolite; mouse metabolite |
silicon | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
lysine | [no description available] | medium | 6 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
arginine | [no description available] | medium | 1 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
pentosidine | [no description available] | medium | 1 | 0 | imidazopyridine; non-proteinogenic L-alpha-amino acid | biomarker; cross-linking reagent |
tretinoin | [no description available] | medium | 3 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
pyridoxine | [no description available] | medium | 1 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxamine | [no description available] | medium | 1 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
arginine glutamate | [no description available] | medium | 1 | 0 | glutamic acid derivative | |
thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
glutathione disulfide | [no description available] | medium | 4 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
cadmium | [no description available] | medium | 5 | 0 | cadmium molecular entity; zinc group element atom | |
tryptophan | [no description available] | medium | 2 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
2-butanol | [no description available] | medium | 1 | 0 | secondary alcohol | |
1-butanol | [no description available] | medium | 3 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
sodium nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
sodium nitrite | [no description available] | medium | 1 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
nitroxyl | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
zeaxanthin | [no description available] | medium | 1 | 0 | carotenol | antioxidant; bacterial metabolite; cofactor |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
monolaurin | [no description available] | medium | 1 | 0 | 1-monoglyceride; dodecanoate ester; rac-1-monoacylglycerol | |
thiamylal | [no description available] | medium | 2 | 0 | barbiturates; organosulfur compound | sedative |
thiopental | [no description available] | medium | 17 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
ozone | [no description available] | medium | 6 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
pheophytin a | [no description available] | medium | 1 | 0 | | |
chlorophyll a | [no description available] | medium | 3 | 0 | chlorophyll; methyl ester | cofactor |
pentane | [no description available] | medium | 10 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
acrolein | [no description available] | medium | 2 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
pyrroles | [no description available] | medium | 2 | 1 | pyrrole; secondary amine | |
cysteine | [no description available] | medium | 3 | 0 | cysteinium | fundamental metabolite |
atorvastatin | [no description available] | medium | 2 | 1 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
leupeptin | [no description available] | medium | 1 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
leupeptins | [no description available] | medium | 1 | 0 | | |
dicarbethoxydihydrocollidine | [no description available] | medium | 1 | 0 | dihydropyridine; ethyl ester | hepatic steatosis inducing agent |
acetovanillone | [no description available] | medium | 1 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
diphenyldiselenide | [no description available] | medium | 2 | 0 | | |
glycogen | [no description available] | medium | 2 | 0 | | |
thiohydantoins | [no description available] | medium | 1 | 0 | | |
uric acid | [no description available] | medium | 4 | 1 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
indomethacin | [no description available] | medium | 3 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
rc 3095 | [no description available] | medium | 1 | 0 | | |
hydracrylic acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid | Escherichia coli metabolite; human metabolite |
n(6)-carboxymethyllysine | [no description available] | medium | 1 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | antigen |
deoxyribose | [no description available] | medium | 12 | 0 | deoxypentose | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cupric chloride | [no description available] | medium | 3 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
morroniside | [no description available] | medium | 1 | 0 | | |
glycosides | [no description available] | medium | 1 | 0 | | |
ferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes; 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 |
capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
metaperiodate | [no description available] | medium | 7 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 2 | 0 | iodine oxoanion; monovalent inorganic anion | |
2-keto-3-deoxyoctonate | [no description available] | medium | 6 | 0 | | |
sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
hematoporphyrin | [no description available] | medium | 1 | 0 | | |
barbital | [no description available] | medium | 13 | 0 | barbiturates | drug allergen |
tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
isoproterenol | [no description available] | medium | 1 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
helium | [no description available] | medium | 1 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
sesquiterpenes | [no description available] | medium | 4 | 0 | | |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
granite | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
cyanogen bromide | [no description available] | medium | 1 | 0 | | |
1,3-dimethylbarbituric acid | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
leptin | [no description available] | medium | 2 | 0 | | |
alpha-linolenic acid | [no description available] | medium | 3 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
triphenyltin | [no description available] | medium | 1 | 0 | | |
potassium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
prostaglandin h2 | [no description available] | medium | 1 | 0 | olefinic compound; oxylipin; prostaglandins H; secondary alcohol | mouse metabolite |
l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
astaxanthine | [no description available] | medium | 1 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
warfarin | [no description available] | medium | 2 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
tibolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | bone density conservation agent; hormone agonist |
mannitol | [no description available] | medium | 3 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
histidine | [no description available] | medium | 2 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
hydrogen sulfide | [no description available] | medium | 3 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
dinoprostone | [no description available] | medium | 3 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
naproxen | [no description available] | medium | 2 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
edetic acid | [no description available] | medium | 18 | 1 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
kaempferol | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
melatonin | [no description available] | medium | 5 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
phenylalanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
thiazolidines | [no description available] | medium | 2 | 0 | thiazolidine | |
fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
potassium dichromate | [no description available] | medium | 2 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
chromium | [no description available] | medium | 2 | 0 | chromium group element atom; metal allergen | micronutrient |
sodium bisulfide | [no description available] | medium | 1 | 0 | | |
carnosine | [no description available] | medium | 4 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
netilmicin | [no description available] | medium | 1 | 0 | | |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
interleukin-8 | [no description available] | medium | 2 | 0 | | |
sodium hydroxide | [no description available] | medium | 2 | 0 | alkali metal hydroxide | |
oligonucleotides | [no description available] | medium | 1 | 0 | | |
carbocyanines | [no description available] | medium | 2 | 0 | cyanine dye; organic iodide salt | fluorochrome |
stains-all | [no description available] | medium | 1 | 0 | cyanine dye; organic bromide salt | fluorochrome |
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 |
methylene blue | [no description available] | medium | 2 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
resorcinol | [no description available] | medium | 2 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
transferrin | [no description available] | medium | 5 | 0 | | |
2,4-dinitrophenylhydrazine | [no description available] | medium | 2 | 0 | C-nitro compound; phenylhydrazines | reagent |
ferrous chloride | [no description available] | medium | 2 | 0 | iron coordination entity | |
genistein | [no description available] | medium | 1 | 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 |
methyl linolenate | [no description available] | medium | 1 | 0 | fatty acid methyl ester | insect attractant; plant metabolite |
papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
thyroxine | [no description available] | medium | 2 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
iodine | [no description available] | medium | 3 | 0 | diatomic iodine | nutrient |
thiobutabarbital | [no description available] | medium | 3 | 0 | | |
methitural | [no description available] | medium | 1 | 0 | barbiturates | |
methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
thiouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
buthalital | [no description available] | medium | 1 | 0 | barbiturates | |
coenzyme a | [no description available] | medium | 2 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
orcinol | [no description available] | medium | 1 | 0 | 5-alkylresorcinol; dihydroxytoluene | Aspergillus metabolite |
heme | [no description available] | medium | 2 | 0 | | |
thiobarbital | [no description available] | medium | 2 | 0 | | |
ribose | [no description available] | medium | 1 | 0 | D-ribose; ribopyranose | |
hydroxydione | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone | human xenobiotic metabolite |
phenobarbital | [no description available] | medium | 3 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
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 |
benzene | [no description available] | medium | 3 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
cyclohexane | [no description available] | medium | 1 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
choline | [no description available] | medium | 1 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
succinylcholine | [no description available] | medium | 1 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
tubocurarine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
2-methylpentane | [no description available] | medium | 2 | 0 | alkane | |
2,7-dichlorodibenzo-4-dioxin | [no description available] | medium | 1 | 0 | | |
n-hexane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant; plant metabolite |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
thiazoles | [no description available] | medium | 3 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
amyloid beta-peptides | [no description available] | medium | 1 | 0 | | |
n-acetylneuraminic acid | [no description available] | medium | 13 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
kaolinite | [no description available] | medium | 1 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
apomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
dithiothreitol | [no description available] | medium | 2 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
2'-(4-methylumbelliferyl)-alpha-d-n-acetylneuraminic acid | [no description available] | medium | 1 | 0 | | |
amplex red | [no description available] | medium | 1 | 0 | | |
uranium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom; monoatomic uranium | |
eicosapentaenoic acid | [no description available] | medium | 4 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
arachidonic acid | [no description available] | medium | 11 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
ketamine | [no description available] | medium | 3 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
lycopene | [no description available] | medium | 3 | 0 | acyclic carotene | antioxidant; plant metabolite |
tocopherols | [no description available] | medium | 6 | 0 | | |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
chlorine | [no description available] | medium | 1 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
chloramine | [no description available] | medium | 1 | 0 | halide | |
methylmercury hydroxide | [no description available] | medium | 1 | 0 | | |
mtt formazan | [no description available] | medium | 1 | 0 | | |
formazans | [no description available] | medium | 1 | 0 | | |
nitroblue tetrazolium | [no description available] | medium | 3 | 0 | organic cation | |
tetrahydrocurcumin | [no description available] | medium | 1 | 0 | beta-diketone; diarylheptanoid; polyphenol | metabolite |
niacinamide | [no description available] | medium | 1 | 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 |
cyclic gmp | [no description available] | medium | 1 | 1 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phytosterols | [no description available] | medium | 1 | 0 | | |
gamma-linolenic acid | [no description available] | medium | 2 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
chondroitin sulfates | [no description available] | medium | 1 | 0 | | |
chondroitin | [no description available] | medium | 1 | 0 | | |
sorbitol | [no description available] | medium | 2 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
tromethamine | [no description available] | medium | 2 | 0 | primary amino compound; triol | buffer |
methylcellulose | [no description available] | medium | 1 | 0 | | |
fenton's reagent | [no description available] | medium | 2 | 0 | | |
ferrous sulfate | [no description available] | medium | 7 | 0 | iron molecular entity; metal sulfate | reducing agent |
3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
diallyl tetrasulfide | [no description available] | medium | 1 | 0 | organosulfur compound | |
cadmium chloride | [no description available] | medium | 1 | 0 | cadmium coordination entity | |
lead nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; lead coordination entity | |
lead | [no description available] | medium | 3 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
cytochrome c-t | [no description available] | medium | 1 | 0 | | |
metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
diethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
gold | [no description available] | medium | 2 | 0 | copper group element atom; elemental gold | |
carbon tetrachloride | [no description available] | medium | 13 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
fe(iii)-edta | [no description available] | medium | 1 | 0 | iron coordination entity | |
benzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
methylmercuric chloride | [no description available] | medium | 2 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
mercuric chloride | [no description available] | medium | 1 | 0 | mercury coordination entity | sensitiser |
mercury | [no description available] | medium | 2 | 0 | elemental mercury; zinc group element atom | neurotoxin |
acid phosphatase | [no description available] | medium | 2 | 0 | | |
valine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
glucitollysine | [no description available] | medium | 1 | 0 | | |
ethane | [no description available] | medium | 7 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
guaifenesin | [no description available] | medium | 2 | 0 | methoxybenzenes | |
pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
methyl linoleate | [no description available] | medium | 2 | 0 | fatty acid methyl ester | plant metabolite |
nitrous acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector; mutagen |
methyl 13-hydroperoxy-9,11-octadecadienoate | [no description available] | medium | 3 | 0 | | |
chloroform | [no description available] | medium | 3 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
furaldehyde | [no description available] | medium | 7 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
5-hydroxymethylfurfural | [no description available] | medium | 7 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
arsenic | [no description available] | medium | 3 | 0 | metalloid atom; pnictogen | micronutrient |
sodium arsenite | [no description available] | medium | 2 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
t-2 toxin | [no description available] | medium | 1 | 0 | | |
potassium chloride | [no description available] | medium | 2 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
propane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | food propellant |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
1,1,3,3-tetramethoxypropane | [no description available] | medium | 1 | 0 | | |
calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
lysophosphatidylcholines | [no description available] | medium | 3 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
nitrogen dioxide | [no description available] | medium | 5 | 0 | nitrogen oxide | |
2-methylindole | [no description available] | medium | 1 | 0 | methylindole | |
picibanil | [no description available] | medium | 1 | 0 | penicillinate anion | |
levamisole | [no description available] | medium | 2 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
adenosine diphosphate | [no description available] | medium | 9 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine; primary amino compound | toxin |
hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
isopentyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite |
n-pentanol | [no description available] | medium | 1 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
sodium borohydride | [no description available] | medium | 2 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
propanidid | [no description available] | medium | 1 | 0 | methoxybenzenes | |
etomidate | [no description available] | medium | 1 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
copper sulfate | [no description available] | medium | 3 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
technetium | [no description available] | medium | 1 | 0 | manganese group element atom | |
dantrolene | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
metallothionein | [no description available] | medium | 3 | 0 | | |
copper gluconate | [no description available] | medium | 1 | 1 | organic molecular entity | |
gluconic acid | [no description available] | medium | 1 | 1 | gluconic acid | chelator; Penicillium metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 5 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
chlorin | [no description available] | medium | 1 | 0 | | |
nitrilotriacetic acid | [no description available] | medium | 4 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
methionine sulfoximine | [no description available] | medium | 2 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
ferric nitrilotriacetate | [no description available] | medium | 4 | 0 | iron chelate | carcinogenic agent; mutagen |
buthionine sulfoximine | [no description available] | medium | 2 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
nimesulide | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
dipyrone | [no description available] | medium | 1 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
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 |
propionaldehyde | [no description available] | medium | 2 | 0 | alpha-CH2-containing aldehyde; propanals | Escherichia coli metabolite |
formaldehyde | [no description available] | medium | 2 | 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 |
acetaldehyde | [no description available] | medium | 4 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
tropisetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
phenylhydrazine | [no description available] | medium | 1 | 0 | phenylhydrazines | xenobiotic |
ferric chloride | [no description available] | medium | 7 | 0 | iron coordination entity | astringent; Lewis acid |
deferoxamine | [no description available] | medium | 13 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
alkenes | [no description available] | medium | 3 | 0 | | |
levodopa | [no description available] | medium | 1 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
linsidomine | [no description available] | medium | 1 | 0 | morpholines | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
penicillamine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 1 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
2,3-dihydroxybenzoic acid | [no description available] | medium | 3 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
paraquat | [no description available] | medium | 2 | 0 | organic cation | geroprotector; herbicide |
oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
caseins | [no description available] | medium | 1 | 0 | | |
skatole | [no description available] | medium | 1 | 0 | methylindole | human metabolite; mammalian metabolite |
radon | [no description available] | medium | 1 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
ryanodine | [no description available] | medium | 1 | 0 | | |
nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
tert-butylhydroperoxide | [no description available] | medium | 8 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
nadp | [no description available] | medium | 15 | 0 | | |
methane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
thiocyanate | [no description available] | medium | 1 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
phenyl acetate | [no description available] | medium | 3 | 0 | benzenes; phenyl acetates | |
sodium selenite | [no description available] | medium | 1 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
cadmium acetate | [no description available] | medium | 1 | 0 | | |
phosphoenolpyruvate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate; monocarboxylic acid | fundamental metabolite |
triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
u 78517f | [no description available] | medium | 1 | 0 | | |
ferric bleomycin | [no description available] | medium | 2 | 0 | | |
alpha-(4-pyridyl-1-oxide)-n-tert-butylnitrone | [no description available] | medium | 2 | 0 | | |
5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 2 | 0 | 1-pyrroline nitrones | neuroprotective agent; spin trapping reagent |
1-o-hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | | |
beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
2-chloroadenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
4-o-methylglucuronic acid | [no description available] | medium | 1 | 0 | | |
hexenuronic acid | [no description available] | medium | 1 | 0 | | |
g(m1) ganglioside | [no description available] | medium | 1 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
artesunic acid | [no description available] | medium | 1 | 0 | | |
artemisinin | [no description available] | medium | 1 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
aspartame | [no description available] | medium | 1 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
piroxicam | [no description available] | medium | 1 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
diphenylhexatriene | [no description available] | medium | 2 | 0 | alkatriene | fluorochrome |
perflubron | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; perfluorinated compound | blood substitute; radioopaque medium |
aluminum | [no description available] | medium | 3 | 0 | boron group element atom; elemental aluminium; metal atom | |
nad | [no description available] | medium | 3 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
vanadium | [no description available] | medium | 2 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
lutein | [no description available] | medium | 1 | 0 | carotenol | food colouring; plant metabolite |
dazoxiben | [no description available] | medium | 1 | 0 | | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 4 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
tcv 309 | [no description available] | medium | 1 | 0 | | |
mercaptoethanol | [no description available] | medium | 1 | 0 | alkanethiol; primary alcohol | geroprotector |
cysteamine | [no description available] | medium | 1 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
nicotine | [no description available] | medium | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
alachlor | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
2,4,5-trichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
metolachlor | [no description available] | medium | 1 | 0 | aromatic amide; benzenes; ether; organochlorine compound | |
methylprednisolone | [no description available] | medium | 3 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
citric acid, anhydrous | [no description available] | medium | 3 | 1 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 4 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
iron perchlorate | [no description available] | medium | 1 | 0 | | |
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl | [no description available] | medium | 1 | 0 | aminoxyls; dicarboximide; maleimides; piperidines | radical scavenger; spin label |
amitrole | [no description available] | medium | 3 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
nitrofurantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
4,7,10,13,16,19-docosahexaenoic acid ethyl ester | [no description available] | medium | 1 | 0 | | |
prostaglandins b | [no description available] | medium | 1 | 0 | | |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
prostaglandin b2 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
verapamil | [no description available] | medium | 2 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
mesalamine | [no description available] | medium | 2 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 2 | 0 | monoazo compound | |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
sc 41930 | [no description available] | medium | 1 | 0 | | |
methyl isobutyl ketone | [no description available] | medium | 1 | 0 | ketone | |
methyl n-butyl ketone | [no description available] | medium | 1 | 0 | ketone | |
diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
pituitrin | [no description available] | medium | 1 | 0 | | |
ferric sulfate | [no description available] | medium | 1 | 0 | iron molecular entity; metal sulfate | astringent; catalyst; mordant |
acridines | [no description available] | medium | 2 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
10,10'-dimethyl-9,9'-biacridinium | [no description available] | medium | 2 | 0 | | |
3-deoxyglycero-galacto-nonulosonic acid | [no description available] | medium | 1 | 0 | L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo | |
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 |
salicylates | [no description available] | medium | 1 | 0 | monohydroxybenzoate | plant metabolite |
flavin mononucleotide | [no description available] | medium | 1 | 0 | | |
gossypol | [no description available] | medium | 2 | 0 | | |
vitamin b 12 | [no description available] | medium | 1 | 0 | | |
6-methyluracil | [no description available] | medium | 1 | 0 | pyrimidone | metabolite |
uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
ubiquinone | [no description available] | medium | 3 | 0 | | |
primaquine | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
5,6-dihydroxy-8-aminoquinoline | [no description available] | medium | 1 | 0 | | |
phorone | [no description available] | medium | 2 | 0 | dialkenyl ketone | |
benzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
cyanamide | [no description available] | medium | 1 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
phenyl-n-tert-butylnitrone | [no description available] | medium | 1 | 0 | | |
phosphocreatine | [no description available] | medium | 1 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
hydrogen carbonate | [no description available] | medium | 2 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
triolein | [no description available] | medium | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
ym 16638 | [no description available] | medium | 1 | 0 | | |
aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
1,3-diethyl-2-thiobarbituric acid | [no description available] | medium | 2 | 0 | | |
oxalates | [no description available] | medium | 1 | 0 | | |
peroxyoxalate | [no description available] | medium | 1 | 0 | | |
phosphoric acid | [no description available] | medium | 1 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
hydralazine | [no description available] | medium | 1 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
phentolamine | [no description available] | medium | 1 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
aldosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
propranolol | [no description available] | medium | 2 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
tungsten | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
oxypurinol | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
4-nitrosodimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; nitroso compound; tertiary amino compound | |
pd 118879 | [no description available] | medium | 1 | 0 | | |
ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
pd-117596 | [no description available] | medium | 1 | 0 | | |
ferric citrate | [no description available] | medium | 1 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
kainic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
kynurenine | [no description available] | medium | 1 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
glutamic acid | [no description available] | medium | 3 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
deoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
erythrosine | [no description available] | medium | 1 | 0 | | |
guanine | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
fructosyl-glycine | [no description available] | medium | 1 | 0 | fructosamine; glycine derivative; glyco-amino acid | human metabolite |
arotinolol | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
carteolol | [no description available] | medium | 1 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
dicarbine | [no description available] | medium | 1 | 0 | | |
chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
enalapril | [no description available] | medium | 1 | 1 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
captopril | [no description available] | medium | 1 | 1 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
dimethylamine | [no description available] | medium | 1 | 0 | methylamines; secondary aliphatic amine | metabolite |
xylenol orange | [no description available] | medium | 1 | 0 | | |
guanosine | [no description available] | medium | 1 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
probucol | [no description available] | medium | 2 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
harmol | [no description available] | medium | 1 | 0 | harmala alkaloid | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
harmalol | [no description available] | medium | 1 | 0 | harmala alkaloid | algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor |
tryptamine | [no description available] | medium | 1 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
harman | [no description available] | medium | 1 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
pantethine | [no description available] | medium | 1 | 0 | organic disulfide | coenzyme; nutraceutical |
pantetheine | [no description available] | medium | 1 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
propionylcarnitine | [no description available] | medium | 2 | 0 | O-acylcarnitine | analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug |
2,2'-azobis(2,4-dimethylvaleronitrile) | [no description available] | medium | 1 | 0 | | |
hypoxanthine | [no description available] | medium | 3 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
masoprocol | [no description available] | medium | 1 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
15-hydroxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
methyldimethylaminoazobenzene | [no description available] | medium | 2 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
glycero-manno-heptose | [no description available] | medium | 1 | 0 | | |
nitrous oxide | [no description available] | medium | 2 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
bromotrichloromethane | [no description available] | medium | 5 | 0 | | |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
nafenopin | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid | |
12-(9-anthroyl)stearic acid | [no description available] | medium | 1 | 0 | | |
7-ketocholesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
tetracyanoethylene | [no description available] | medium | 1 | 0 | | |
rifamycin sv | [no description available] | medium | 2 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
rifamycins | [no description available] | medium | 2 | 0 | | |
diethyl maleate | [no description available] | medium | 1 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
ferric oxide, saccharated | [no description available] | medium | 1 | 0 | | |
glucaric acid | [no description available] | medium | 1 | 0 | glucaric acid | antineoplastic agent |
teferrol | [no description available] | medium | 1 | 0 | | |
vanadyl sulfate | [no description available] | medium | 1 | 0 | metal sulfate; vanadium coordination entity | |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
phosphorus | [no description available] | medium | 1 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
triethylene glycol dimethacrylate | [no description available] | medium | 1 | 0 | | |
piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
cimetidine | [no description available] | medium | 2 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
manganese | [no description available] | medium | 2 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
cholesterol hydroperoxide | [no description available] | medium | 1 | 0 | | |
u 74500a | [no description available] | medium | 2 | 0 | | |
adenosine monophosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
cumene hydroperoxide | [no description available] | medium | 3 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound | metabolite |
acetylthiourea | [no description available] | medium | 1 | 0 | acetamides; thioureas | |
citiolone | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
dihydrolipoic acid | [no description available] | medium | 1 | 0 | thio-fatty acid | antioxidant; human metabolite; neuroprotective agent |
halothane | [no description available] | medium | 2 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
canthaxanthin | [no description available] | medium | 1 | 0 | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
xanthine | [no description available] | medium | 2 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HPETE | human xenobiotic metabolite |
clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
flumazenil | [no description available] | medium | 1 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
strophanthidin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde | |
hydroquinone | [no description available] | medium | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
hydroxyhydroquinone | [no description available] | medium | 1 | 0 | benzenetriol | mouse metabolite |
ethylmaleimide | [no description available] | medium | 2 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
chromium nitrate | [no description available] | medium | 1 | 0 | chromium coordination entity; inorganic nitrate salt | |
chromates | [no description available] | medium | 1 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
n-hexanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
asbestos, crocidolite | [no description available] | medium | 1 | 0 | | |
cord factors | [no description available] | medium | 1 | 0 | | |
nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
ethoxyquin | [no description available] | medium | 1 | 0 | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
4-bromophenacyl bromide | [no description available] | medium | 1 | 0 | | |
melitten | [no description available] | medium | 1 | 0 | | |
quinacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
chlorpromazine | [no description available] | medium | 2 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
misonidazole | [no description available] | medium | 1 | 0 | | |
linoleic acid hydroperoxide | [no description available] | medium | 2 | 0 | | |
beta-lactams | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
queuine | [no description available] | medium | 1 | 0 | pyrrolopyrimidine | Escherichia coli metabolite |
cobaltous chloride | [no description available] | medium | 1 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
2-benzoquinone | [no description available] | medium | 1 | 0 | 1,2-benzoquinones; benzoquinone | |
muconaldehyde | [no description available] | medium | 1 | 0 | fatty aldehyde | |
u 74006f | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline) | [no description available] | medium | 1 | 0 | | |
promega | [no description available] | medium | 1 | 0 | | |
thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
3-aminobenzeneboronic acid | [no description available] | medium | 3 | 0 | | |
n-glycolylneuraminic acid | [no description available] | medium | 1 | 0 | N-acylneuraminic acid | |
nickel chloride | [no description available] | medium | 1 | 0 | nickel coordination entity | calcium channel blocker; hapten |
cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
phorbols | [no description available] | medium | 1 | 0 | diterpene; terpenoid fundamental parent | |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
caloreen | [no description available] | medium | 1 | 0 | | |
alpha-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
dithioerythritol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol | reducing agent |
trimethylenediamine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
nitric acid | [no description available] | low | 0 | 0 | nitrogen oxoacid | protic solvent; reagent |
platinum tetrachloride | [no description available] | low | 0 | 0 | platinum coordination entity | catalyst; reagent |
bromodichloromethane | [no description available] | low | 0 | 0 | halomethane | environmental contaminant; reagent |
trifluoroacetic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
2-anisidine | [no description available] | low | 0 | 0 | monomethoxybenzene; primary amino compound; substituted aniline | genotoxin; reagent |
phenylisothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | allergen; reagent |
4-phenylenediamine | [no description available] | low | 0 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
acetic anhydride | [no description available] | low | 0 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
piperidine | [no description available] | low | 0 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
triethylenediamine | [no description available] | low | 0 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
trinitrobenzenesulfonic acid | [no description available] | low | 0 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
methyl carbonate | [no description available] | low | 0 | 0 | carbonate ester | reagent; solvent |
sodium tungstate(vi) | [no description available] | low | 0 | 0 | inorganic sodium salt | reagent |
carbamide peroxide | [no description available] | low | 0 | 0 | mixture | disinfectant; oxidising agent; reagent |
bromosuccinimide | [no description available] | low | 0 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
bnps-skatole | [no description available] | low | 0 | 0 | aryl sulfide; bromoindole; C-nitro compound | reagent |
bentiromide | [no description available] | low | 0 | 0 | dipeptide | diagnostic agent; indicator; reagent |
dinitrochlorobenzene | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
4-aminophenol | [no description available] | low | 0 | 0 | aminophenol | allergen; metabolite |
4-aminobenzoic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenylacetic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
phosphorylcholine | [no description available] | low | 0 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
propylene glycol | [no description available] | low | 0 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
2,4-dinitrophenol | [no description available] | low | 0 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
benzocaine | [no description available] | low | 0 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
carbamazepine epoxide | [no description available] | low | 0 | 0 | dibenzoazepine; epoxide; ureas | allergen; drug metabolite; marine xenobiotic metabolite |
n-methyl-4-aminophenol | [no description available] | low | 0 | 0 | phenols | allergen |
dinitrofluorobenzene | [no description available] | low | 0 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
ethylene oxide | [no description available] | low | 0 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
methylmethacrylate | [no description available] | low | 0 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
phthalic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | allergen |
picryl chloride | [no description available] | low | 0 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
2,6-diisocyanatotoluene | [no description available] | low | 0 | 0 | toluene meta-diisocyanate | allergen; hapten |
6-methylcoumarin | [no description available] | low | 0 | 0 | coumarins | allergen; fragrance |
veratric acid | [no description available] | low | 0 | 0 | benzoic acids | allergen; plant metabolite |
2,5-diaminotoluene | [no description available] | low | 0 | 0 | diamine | allergen |
ethylene dimethacrylate | [no description available] | low | 0 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
butylphen | [no description available] | low | 0 | 0 | phenols | allergen |
carvone | [no description available] | low | 0 | 0 | botanical anti-fungal agent; carvones | allergen |
benzylamine | [no description available] | low | 0 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
4-aminodiphenylamine | [no description available] | low | 0 | 0 | aromatic amine; secondary amino compound | allergen |
4,4'-diphenylmethane diisocyanate | [no description available] | low | 0 | 0 | diisocyanate | allergen; hapten |
n-isopropyl-n-phenyl-4-phenylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine | allergen; antioxidant |
4,4'-diaminodiphenylmethane | [no description available] | low | 0 | 0 | aromatic amine | allergen; carcinogenic agent |
diphenylguanidine | [no description available] | low | 0 | 0 | guanidines | allergen |
monobenzone | [no description available] | low | 0 | 0 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
phenyl isocyanate | [no description available] | low | 0 | 0 | benzenes; isocyanates | allergen; hapten |
glyoxal | [no description available] | low | 0 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
hydroxycitronellal | [no description available] | low | 0 | 0 | tertiary alcohol | allergen; fragrance |
maleic anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
butyl isocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen |
tetrachlorophthalic anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; tetrachlorobenzene | allergen; cross-linking reagent |
framycetin | [no description available] | low | 0 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
dibenzothiazyl disulfide | [no description available] | low | 0 | 0 | benzothiazoles; organic disulfide | allergen |
4-sulfanilic acid | [no description available] | low | 0 | 0 | aminobenzenesulfonic acid | allergen; environmental contaminant; xenobiotic metabolite; xenobiotic |
resorcinol monobenzoate | [no description available] | low | 0 | 0 | benzoate ester | allergen |
ethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | allergen |
aminopenicillanic acid | [no description available] | low | 0 | 0 | amino acid zwitterion; penicillanic acids | allergen |
trimellitic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid | allergen; epitope; hapten |
anthrarobin | [no description available] | low | 0 | 0 | anthracenetriol | allergen |
toluene 2,4-diisocyanate | [no description available] | low | 0 | 0 | toluene meta-diisocyanate | allergen; hapten |
methyl isocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen; apoptosis inducer |
disperse orange 3 | [no description available] | low | 0 | 0 | azobenzenes; primary arylamine | allergen; dye |
1,6-hexamethylene diisocyanate | [no description available] | low | 0 | 0 | diisocyanate | allergen; hapten |
hydroxyethyl methacrylate | [no description available] | low | 0 | 0 | enoate ester | allergen; polymerisation monomer |
cyclohexylisocyanate | [no description available] | low | 0 | 0 | isocyanates | allergen |
phenoxyacetic acid | [no description available] | low | 0 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
methylene bis(4-cyclohexylisocyanate) | [no description available] | low | 0 | 0 | diisocyanate | allergen |
nickel sulfate | [no description available] | low | 0 | 0 | metal sulfate | allergen |
beryllium sulfate | [no description available] | low | 0 | 0 | metal sulfate | allergen |
triforine | [no description available] | low | 0 | 0 | amide fungicide; formamides; N-alkylpiperazine; organochlorine compound | allergen; antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
lamivudine | [no description available] | low | 0 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
1,2-dibromo-2,4-dicyanobutane | [no description available] | low | 0 | 0 | aliphatic nitrile; organobromine compound | allergen; sensitiser |
squaric acid dibutyl ester | [no description available] | low | 0 | 0 | cyclic ketone; diether | allergen; immunological adjuvant |
4-nitrobenzyl bromide | [no description available] | low | 0 | 0 | benzyl bromides; C-nitro compound | allergen; sensitiser |
n-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | allergen |
3-pentadecacatechol | [no description available] | low | 0 | 0 | catechols | allergen |
4-tolyl isocyanate | [no description available] | low | 0 | 0 | isocyanates; toluenes | allergen; hapten |
bis(diphenylphosphine)ethane | [no description available] | low | 0 | 0 | diphosphanes; tertiary phosphine | allergen |
primin | [no description available] | low | 0 | 0 | 1,4-benzoquinones | allergen; antifeedant; antimicrobial agent; hapten; metabolite |
disperse blue 124 | [no description available] | low | 0 | 0 | 1,3-thiazoles; monoazo compound; tertiary amine | allergen; dye; hapten |
fluazinam | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound | allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic |
dehydroabietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; monocarboxylic acid | allergen; metabolite |
sulfamethoxazole hydroxylamine | [no description available] | low | 0 | 0 | isoxazoles; sulfonamide | allergen; metabolite |
4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
4-nitrososulfamethoxazole | [no description available] | low | 0 | 0 | isoxazoles; nitroso compound; sulfonamide | allergen; metabolite |
geraniol | [no description available] | low | 0 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
diphenylthiourea | [no description available] | low | 0 | 0 | thioureas | allergen |
pyrimidine-2-thiol | [no description available] | low | 0 | 0 | aryl thiol; pyrimidines | allergen; corrosion inhibitor |
1,3-dibutyl-2-thiourea | [no description available] | low | 0 | 0 | thioureas | allergen |
2-thiopyridine | [no description available] | low | 0 | 0 | aryl thiol; pyridines | allergen; fluorescence quencher |
krn 7000 | [no description available] | low | 0 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
glyceryl monothioglycolate | [no description available] | low | 0 | 0 | thioglycolate ester | allergen |
5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound | allergen; drug metabolite |
chloramine-t | [no description available] | low | 0 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
tylosin | [no description available] | low | 0 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butenone | [no description available] | low | 0 | 0 | enone | allergen; fragrance |
tixocortol pivalate | [no description available] | low | 0 | 0 | corticosteroid; pivalate ester; tertiary alpha-hydroxy ketone; thioester | allergen; anti-allergic agent; glucocorticoid receptor agonist |
6-tuliposide a | [no description available] | low | 0 | 0 | 6-O-acyl-D-glucose; homoallylic alcohol | allergen; metabolite |
sodium bisulfite | [no description available] | low | 0 | 0 | inorganic sodium salt; sulfite salt | allergen; food antioxidant; food colour retention agent; mutagen; reducing agent |
beta-aminoarteether maleate | [no description available] | low | 0 | 0 | maleate salt | allergen |
amobarbital | [no description available] | low | 0 | 0 | barbiturates | |
bucolome | [no description available] | low | 0 | 0 | barbiturates | |
secbutabarbital | [no description available] | low | 0 | 0 | barbiturates | |
butalbital | [no description available] | low | 0 | 0 | barbiturates | analgesic; sedative |
hexobarbital | [no description available] | low | 0 | 0 | barbiturates | |
secobarbital | [no description available] | low | 0 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
cyclobarbital | [no description available] | low | 0 | 0 | barbiturates | |
allobarbital | [no description available] | low | 0 | 0 | barbiturates | |
allylpropymal | [no description available] | low | 0 | 0 | barbiturates | |
butobarbital | [no description available] | low | 0 | 0 | barbiturates | |
mephobarbital | [no description available] | low | 0 | 0 | barbiturates | anticonvulsant |
talbutal | [no description available] | low | 0 | 0 | barbiturates | |
methohexital | [no description available] | low | 0 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
phetharbital | [no description available] | low | 0 | 0 | barbiturates | |
4-hydroxyphenobarbital | [no description available] | low | 0 | 0 | barbiturates | |
heptabarbital | [no description available] | low | 0 | 0 | barbiturates | |
propallylonal | [no description available] | low | 0 | 0 | barbiturates | |
proxibarbal | [no description available] | low | 0 | 0 | barbiturates | |
pronarcon | [no description available] | low | 0 | 0 | barbiturates | |
febarbamate | [no description available] | low | 0 | 0 | barbiturates | |
eterobarb | [no description available] | low | 0 | 0 | barbiturates | |
dialuric acid | [no description available] | low | 0 | 0 | barbiturates | |
5-[[5-(diethylamino)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione | [no description available] | low | 0 | 0 | barbiturates | |
5-(3-methylbutyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione | [no description available] | low | 0 | 0 | barbiturates | |
5-[2-methyl-1-(phenylmethyl)-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | [no description available] | low | 0 | 0 | barbiturates | |
2-[2,5-dimethyl-3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | barbiturates | |
5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione | [no description available] | low | 0 | 0 | barbiturates | |
phenobarbital sodium | [no description available] | low | 0 | 0 | barbiturates; organic sodium salt | |