Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
phosphorus | [no description available] | medium | 285 | 2 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
cadmium | [no description available] | medium | 7,803 | 14 | cadmium molecular entity; zinc group element atom | |
benzotriazole | [no description available] | medium | 4 | 0 | benzotriazoles | environmental contaminant; xenobiotic |
triazoles | [no description available] | medium | 11 | 1 | 1,2,3-triazole | |
zirconium | [no description available] | medium | 197 | 1 | titanium group element atom | |
titanium | [no description available] | medium | 442 | 1 | titanium group element atom | |
lead titanate zirconate | [no description available] | medium | 109 | 0 | | |
mercury | [no description available] | medium | 2,569 | 7 | elemental mercury; zinc group element atom | neurotoxin |
uric acid | [no description available] | medium | 65 | 2 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
gold | [no description available] | medium | 338 | 1 | copper group element atom; elemental gold | |
glycogen | [no description available] | medium | 24 | 0 | | |
clay | [no description available] | medium | 102 | 0 | | |
metallothionein | [no description available] | medium | 149 | 0 | | |
aluminum oxide | [no description available] | medium | 48 | 0 | | |
nickel | [no description available] | medium | 1,159 | 2 | metal allergen; nickel group element atom | epitope; micronutrient |
nickel ferrite | [no description available] | medium | 1 | 0 | | |
dialuminum magnesium tetraoxide | [no description available] | medium | 3 | 0 | | |
chromates | [no description available] | medium | 103 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
bisphenol a | [no description available] | medium | 22 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
endosulfan | [no description available] | medium | 3 | 0 | cyclic sulfite ester; cyclodiene organochlorine insecticide | acaricide; agrochemical; GABA-gated chloride channel antagonist; persistent organic pollutant |
arsenic | [no description available] | medium | 1,683 | 6 | metalloid atom; pnictogen | micronutrient |
chitosan | [no description available] | medium | 149 | 1 | | |
thallium | [no description available] | medium | 114 | 0 | boron group element atom | |
lignin | [no description available] | medium | 47 | 0 | | |
cyanides | [no description available] | medium | 29 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
methane | [no description available] | medium | 134 | 2 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
chromium | [no description available] | medium | 1,113 | 0 | chromium group element atom; metal allergen | micronutrient |
methylene blue | [no description available] | medium | 54 | 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 |
limestone | [no description available] | medium | 122 | 3 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
carbocyanines | [no description available] | medium | 6 | 0 | cyanine dye; organic iodide salt | fluorochrome |
aluminum | [no description available] | medium | 466 | 0 | boron group element atom; elemental aluminium; metal atom | |
zinc oxide | [no description available] | medium | 63 | 2 | zinc molecular entity | |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 24 | 0 | guanosines | biomarker |
perovskite | [no description available] | medium | 89 | 0 | | |
cesium | [no description available] | medium | 52 | 0 | alkali metal atom | |
bromide | [no description available] | medium | 33 | 0 | halide anion; monoatomic bromine | |
lanthanum | [no description available] | medium | 53 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
procyanidin | [no description available] | medium | 11 | 0 | proanthocyanidin | |
polonium | [no description available] | medium | 292 | 0 | chalcogen; metal atom | |
polonium-210 atom | [no description available] | medium | 10 | 0 | polonium atom | |
phenyl acetate | [no description available] | medium | 358 | 0 | benzenes; phenyl acetates | |
aluminum chloride | [no description available] | medium | 6 | 0 | aluminium coordination entity | Lewis acid |
chlorine | [no description available] | medium | 200 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
caesium-137 | [no description available] | medium | 9 | 0 | caesium atom | |
cyclosporin g | [no description available] | medium | 1 | 0 | | |
cyclosporine | [no description available] | medium | 3 | 0 | | |
manganese | [no description available] | medium | 887 | 2 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
tetracycline | [no description available] | medium | 22 | 0 | | |
thyroxine | [no description available] | medium | 43 | 1 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
triiodothyronine | [no description available] | medium | 21 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
silver chloride | [no description available] | medium | 7 | 0 | inorganic chloride; silver salt | |
alpha-chymotrypsin | [no description available] | medium | 6 | 0 | | |
arsenic trioxide | [no description available] | medium | 6 | 0 | | |
zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
carbonates | [no description available] | medium | 132 | 0 | carbon oxoanion | |
cysteine | [no description available] | medium | 99 | 1 | cysteinium | fundamental metabolite |
2,2,5,7,8-pentamethyl-1-hydroxychroman | [no description available] | medium | 1 | 0 | | |
cobalt | [no description available] | medium | 410 | 0 | cobalt group element atom; metal allergen | micronutrient |
selenium | [no description available] | medium | 510 | 3 | chalcogen; nonmetal atom | micronutrient |
phencyclidine | [no description available] | medium | 880 | 18 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
thioctic acid | [no description available] | medium | 12 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
chromium | [no description available] | medium | 49 | 0 | chromium cation; monoatomic hexacation | |
lithium | [no description available] | medium | 61 | 0 | alkali metal atom | |
chiniofon | [no description available] | medium | 2 | 0 | | |
ascorbic acid | [no description available] | medium | 157 | 5 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
betadex | [no description available] | medium | 18 | 0 | cyclodextrin | |
nitrilotriacetic acid | [no description available] | medium | 28 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
palladium | [no description available] | medium | 53 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
bismuth | [no description available] | medium | 409 | 0 | metal atom; pnictogen | |
formaldehyde | [no description available] | medium | 87 | 1 | 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 |
potassium permanganate | [no description available] | medium | 23 | 0 | | |
sodium hydroxide | [no description available] | medium | 44 | 0 | alkali metal hydroxide | |
tartaric acid | [no description available] | medium | 12 | 0 | tartaric acid | Escherichia coli metabolite |
argon | [no description available] | medium | 27 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
durapatite | [no description available] | medium | 76 | 0 | | |
ferrihydrite | [no description available] | medium | 21 | 0 | | |
fluorides | [no description available] | medium | 137 | 1 | halide anion; monoatomic fluorine | |
cellulose | [no description available] | medium | 102 | 1 | glycoside | |
pectins | [no description available] | medium | 42 | 0 | D-galactopyranuronic acid | |
hydrocerussite | [no description available] | medium | 11 | 0 | | |
lead radioisotopes | [no description available] | medium | 113 | 1 | | |
catechin | [no description available] | medium | 13 | 0 | catechin | antioxidant; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 6 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
cytochrome c-t | [no description available] | medium | 7 | 0 | | |
sulfur | [no description available] | medium | 128 | 0 | chalcogen; nonmetal atom | macronutrient |
tricalcium phosphate | [no description available] | medium | 24 | 0 | calcium phosphate | |
lead sulfide | [no description available] | medium | 283 | 2 | | |
acetylcysteine | [no description available] | medium | 39 | 4 | 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 |
thiourea | [no description available] | medium | 22 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
pyromorphite | [no description available] | medium | 53 | 0 | | |
betaine | [no description available] | medium | 3 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
bromochloroacetic acid | [no description available] | medium | 5 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
benzylideneacetone | [no description available] | medium | 1 | 0 | benzylideneacetone | bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance |
indoleacetic acid | [no description available] | medium | 30 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
methylamine | [no description available] | medium | 19 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
iodine | [no description available] | medium | 58 | 0 | halide anion; monoatomic iodine | human metabolite |
pyrethrins | [no description available] | medium | 12 | 0 | | |
decamethrin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
muramidase | [no description available] | medium | 21 | 0 | | |
antimony | [no description available] | medium | 243 | 0 | metalloid atom; pnictogen | |
tin | [no description available] | medium | 272 | 1 | carbon group element atom; elemental tin; metal atom | micronutrient |
greigite | [no description available] | medium | 1 | 0 | iron(2+) sulfides; iron(3+) sulfides; sulfide mineral | catalyst |
enrofloxacin | [no description available] | medium | 3 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
tryptophan | [no description available] | medium | 23 | 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 |
kaolinite | [no description available] | medium | 38 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
melatonin | [no description available] | medium | 30 | 1 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
adenosine | [no description available] | medium | 13 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
urea | [no description available] | medium | 53 | 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 |
malondialdehyde | [no description available] | medium | 231 | 2 | dialdehyde | biomarker |
methyl formate | [no description available] | medium | 1 | 0 | formate ester; methyl ester; volatile organic compound | fumigant; insecticide; polar aprotic solvent; refrigerant |
methanol | [no description available] | medium | 101 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
zeolites | [no description available] | medium | 95 | 2 | | |
edetic acid | [no description available] | medium | 755 | 18 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
acetic acid | [no description available] | medium | 61 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
isoprene | [no description available] | medium | 32 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
tropolone | [no description available] | medium | 2 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
thrombin aptamer | [no description available] | medium | 6 | 0 | | |
struvite | [no description available] | medium | 6 | 0 | hydrate; phosphate mineral | fertilizer |
bilirubin | [no description available] | medium | 24 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
quercetin | [no description available] | medium | 17 | 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 |
silver | [no description available] | medium | 312 | 2 | copper group element atom; elemental silver | Escherichia coli metabolite |
oxalic acid | [no description available] | medium | 39 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
curcumin | [no description available] | medium | 24 | 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 |
bisdemethoxycurcumin | [no description available] | medium | 2 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
niobium | [no description available] | medium | 44 | 0 | vanadium group element atom | |
calcium nitrate | [no description available] | medium | 4 | 0 | calcium salt; inorganic nitrate salt | fertilizer |
pheophytin a | [no description available] | medium | 50 | 1 | | |
glycine | [no description available] | medium | 27 | 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 |
alanine | [no description available] | medium | 19 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
nitrates | [no description available] | medium | 582 | 2 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
titanium dioxide | [no description available] | medium | 86 | 0 | titanium oxides | food colouring |
diuron | [no description available] | medium | 5 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
acetaminophen | [no description available] | medium | 7 | 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 |
atrazine | [no description available] | medium | 13 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
diclofenac | [no description available] | medium | 5 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 8 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
caffeine | [no description available] | medium | 14 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
zinc carbonate | [no description available] | medium | 2 | 0 | organooxygen compound | |
cholecalciferol | [no description available] | medium | 24 | 3 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
alpha-synuclein | [no description available] | medium | 9 | 0 | | |
pentetic acid | [no description available] | medium | 55 | 0 | pentacarboxylic acid | copper chelator |
calcium magnesium phosphate | [no description available] | medium | 2 | 0 | | |
glutamic acid | [no description available] | medium | 55 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
oxalates | [no description available] | medium | 30 | 0 | | |
succinic acid | [no description available] | medium | 5 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
pyrophosphate | [no description available] | medium | 17 | 1 | diphosphate ion | |
superphosphate | [no description available] | medium | 6 | 0 | | |
citric acid, anhydrous | [no description available] | medium | 110 | 1 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
chlorophyll a | [no description available] | medium | 168 | 0 | chlorophyll; methyl ester | cofactor |
molybdenum | [no description available] | medium | 102 | 0 | chromium group element atom | micronutrient |
acrylamide | [no description available] | medium | 8 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
nitrous oxide | [no description available] | medium | 8 | 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 |
vermiculite | [no description available] | medium | 8 | 0 | | |
goethite | [no description available] | medium | 25 | 0 | | |
sucrose | [no description available] | medium | 45 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
silicon | [no description available] | medium | 86 | 1 | carbon group element atom; metalloid atom; nonmetal atom | |
camphor, (+-)-isomer | [no description available] | medium | 2 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
lead phosphate | [no description available] | medium | 31 | 0 | | |
radium | [no description available] | medium | 110 | 0 | alkaline earth metal atom | |
uranium | [no description available] | medium | 290 | 2 | actinoid atom; f-block element atom; monoatomic uranium | |
naringenin | [no description available] | medium | 2 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
cacodylic acid | [no description available] | medium | 7 | 0 | organoarsenic compound | xenobiotic metabolite |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 2 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
folic acid | [no description available] | medium | 35 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
donepezil | [no description available] | medium | 1 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
acid phosphatase | [no description available] | medium | 123 | 1 | | |
l 743,872 | [no description available] | medium | 1 | 0 | | |
n-methylaspartate | [no description available] | medium | 26 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
hydroquinone | [no description available] | medium | 8 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
resveratrol | [no description available] | medium | 8 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
ddt | [no description available] | medium | 51 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
aqua regia | [no description available] | medium | 4 | 0 | | |
alternariol | [no description available] | medium | 1 | 0 | benzochromenone; phenols | EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin |
allopurinol | [no description available] | medium | 6 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
etidronate | [no description available] | medium | 6 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
rubidium | [no description available] | medium | 25 | 0 | alkali metal atom | |
chetomin | [no description available] | medium | 1 | 0 | indoles; organic disulfide; organic heteropentacyclic compound | Chaetomium metabolite; immunosuppressive agent |
mocetinostat | [no description available] | medium | 75 | 1 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
glutathione disulfide | [no description available] | medium | 18 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
glutamine | [no description available] | medium | 16 | 1 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
lead nitrate | [no description available] | medium | 376 | 1 | inorganic nitrate salt; lead coordination entity | |
malic acid | [no description available] | medium | 16 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
azides | [no description available] | medium | 17 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
ammonium hydroxide | [no description available] | medium | 36 | 2 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
ciprofloxacin | [no description available] | medium | 4 | 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 |
strontium | [no description available] | medium | 158 | 0 | alkaline earth metal atom | |
barium | [no description available] | medium | 208 | 0 | alkaline earth metal atom; elemental barium | |
lignans | [no description available] | medium | 2 | 0 | | |
sesamin | [no description available] | medium | 1 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
calcium oxalate | [no description available] | medium | 6 | 0 | organic calcium salt | |
cystine | [no description available] | medium | 8 | 0 | | |
ferric phosphate | [no description available] | medium | 3 | 0 | inorganic phosphate salt; inorganic phosphate; iron molecular entity | |
cerium | [no description available] | medium | 49 | 0 | f-block element atom; lanthanoid atom | |
ozone | [no description available] | medium | 67 | 1 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
nicotine | [no description available] | medium | 19 | 1 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
acrylic acid | [no description available] | medium | 19 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
acrylonitrile | [no description available] | medium | 6 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
phenanthrenes | [no description available] | medium | 17 | 0 | | |
cotinine | [no description available] | medium | 47 | 1 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
minocycline | [no description available] | medium | 3 | 0 | | |
chlorine | [no description available] | medium | 71 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
calcium sulfate | [no description available] | medium | 47 | 0 | calcium salt; inorganic calcium salt | |
mycophenolic acid | [no description available] | medium | 2 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
calcium sulfate dihydrate | [no description available] | medium | 9 | 0 | calcium salt; hydrate | |
diphenyl | [no description available] | medium | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
tramadol | [no description available] | medium | 2 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
magnesium trisilicate | [no description available] | medium | 14 | 0 | | |
benomyl | [no description available] | medium | 3 | 0 | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator |
cadmium chloride | [no description available] | medium | 57 | 0 | cadmium coordination entity | |
deuterium oxide | [no description available] | medium | 4 | 0 | deuterated compound; water | NMR solvent |
congo red | [no description available] | medium | 4 | 0 | bis(azo) compound | |
methyl tert-butyl ether | [no description available] | medium | 4 | 0 | ether | fuel additive; metabolite; non-polar solvent |
vanadium | [no description available] | medium | 116 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
silybin | [no description available] | medium | 1 | 0 | | |
corticosterone | [no description available] | medium | 31 | 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 |
thorium | [no description available] | medium | 69 | 0 | actinoid atom; f-block element atom | |
violacein | [no description available] | medium | 1 | 0 | | |
midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
phenobarbital | [no description available] | medium | 20 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
sevoflurane | [no description available] | medium | 1 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
tellurium | [no description available] | medium | 62 | 0 | chalcogen; metalloid atom | |
cadmium telluride | [no description available] | medium | 7 | 0 | | |
mercaptoethanol | [no description available] | medium | 18 | 0 | alkanethiol; primary alcohol | geroprotector |
selenious acid | [no description available] | medium | 5 | 0 | selenium oxoacid | |
tannins | [no description available] | medium | 26 | 0 | | |
vitamin b 12 | [no description available] | medium | 13 | 0 | | |
tyrosine | [no description available] | medium | 23 | 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 |
tempo | [no description available] | medium | 3 | 0 | aminoxyls; piperidines | catalyst; ferroptosis inhibitor; radical scavenger |
guanine | [no description available] | medium | 16 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxyguanine | [no description available] | medium | 2 | 0 | oxopurine | |
heparitin sulfate | [no description available] | medium | 5 | 0 | | |
gentian violet | [no description available] | medium | 8 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
clinoptilolite | [no description available] | medium | 27 | 2 | | |
humulin s | [no description available] | medium | 1 | 0 | | |
tripropylamine | [no description available] | medium | 2 | 0 | tertiary amine | |
vancomycin | [no description available] | medium | 2 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
deuterium | [no description available] | medium | 13 | 0 | dihydrogen | |
sodium carbonate | [no description available] | medium | 6 | 0 | carbonate salt; organic sodium salt | |
carbon disulfide | [no description available] | medium | 21 | 0 | one-carbon compound; organosulfur compound | |
2-aminopurine | [no description available] | medium | 2 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
artesunic acid | [no description available] | medium | 1 | 0 | | |
carbostyril | [no description available] | medium | 6 | 1 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
thiosemicarbazide | [no description available] | medium | 6 | 0 | hydrazines; thiocarboxamide; thioureas | |
europium | [no description available] | medium | 17 | 1 | f-block element atom; lanthanoid atom | |
boron | [no description available] | medium | 49 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
ochratoxin a | [no description available] | medium | 4 | 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 |
cocaine | [no description available] | medium | 66 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
3,4,5-trimethoxybenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids; methoxybenzenes | human urinary metabolite; human xenobiotic metabolite; plant metabolite |
2,4,5,2',4',5'-hexachlorobiphenyl | [no description available] | medium | 3 | 0 | hexachlorobiphenyl | |
gallium | [no description available] | medium | 17 | 0 | boron group element atom | |
sodium bicarbonate | [no description available] | medium | 4 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sinomenine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 6 | 0 | BODIPY compound | |
aminosalicylic acid | [no description available] | medium | 5 | 0 | aminobenzoic acid; phenols | antitubercular agent |
arachidonic acid | [no description available] | medium | 12 | 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 |
hesperidin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
malathion | [no description available] | medium | 6 | 0 | diester; ethyl ester; organic thiophosphate | |
demeclocycline | [no description available] | medium | 3 | 0 | | |
proline | [no description available] | medium | 30 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
spermidine | [no description available] | medium | 6 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
ergosterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
ferrous sulfate | [no description available] | medium | 13 | 1 | iron molecular entity; metal sulfate | reducing agent |
heme | [no description available] | medium | 162 | 3 | | |
butylxanthate | [no description available] | medium | 1 | 0 | | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 14 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
interleukin-8 | [no description available] | medium | 11 | 1 | | |
beta-escin | [no description available] | medium | 14 | 0 | | |
ammonium hydroxide | [no description available] | medium | 1 | 0 | inorganic hydroxy compound | food acidity regulator |
asparagine | [no description available] | medium | 2 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
nitric acid | [no description available] | medium | 56 | 0 | nitrogen oxoacid | protic solvent; reagent |
chlorpyrifos | [no description available] | medium | 11 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
isoniazid | [no description available] | medium | 6 | 0 | carbohydrazide | antitubercular agent; drug allergen |
platinum | [no description available] | medium | 82 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
beryllium | [no description available] | medium | 67 | 1 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
benzo(a)pyrene | [no description available] | medium | 24 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
dibenzofuran | [no description available] | medium | 7 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
eosine yellowish-(ys) | [no description available] | medium | 5 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
succimer | [no description available] | medium | 189 | 18 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
oligonucleotides | [no description available] | medium | 32 | 0 | | |
nitrogen dioxide | [no description available] | medium | 53 | 2 | nitrogen oxide | |
pyrene | [no description available] | medium | 14 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
phenanthrene | [no description available] | medium | 13 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
shogaol | [no description available] | medium | 1 | 0 | enone; monomethoxybenzene; phenols | |
chlorite | [no description available] | medium | 5 | 0 | chlorine oxoanion; monovalent inorganic anion | |
zircon | [no description available] | medium | 20 | 0 | | |
toluene | [no description available] | medium | 33 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
nitrophenols | [no description available] | medium | 28 | 0 | | |
coenzyme a | [no description available] | medium | 4 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
choline | [no description available] | medium | 28 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
dimethyl sulfoxide | [no description available] | medium | 22 | 1 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
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 |
melamine | [no description available] | medium | 7 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
jarosite | [no description available] | medium | 9 | 0 | | |
dimethylformamide | [no description available] | medium | 9 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
ditiocarb | [no description available] | medium | 19 | 0 | dithiocarbamic acids | chelator; copper chelator |
warfarin | [no description available] | medium | 11 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
carnitine | [no description available] | medium | 3 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
germanium | [no description available] | medium | 44 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
perylene | [no description available] | medium | 7 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
adenosine monophosphate | [no description available] | medium | 18 | 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 |
Brilliant Blue | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenol | [no description available] | medium | 31 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
illite | [no description available] | medium | 2 | 0 | | |
arginine | [no description available] | medium | 15 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
biotin | [no description available] | medium | 5 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
thiophenes | [no description available] | medium | 9 | 1 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
1-triacontanol | [no description available] | medium | 1 | 0 | fatty alcohol 30:0; ultra-long-chain primary fatty alcohol | |
cholesteryl sulfate | [no description available] | medium | 1 | 0 | steroid sulfate | human metabolite |
avicularin | [no description available] | medium | 1 | 0 | alpha-L-arabinofuranoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
erythromycin | [no description available] | medium | 3 | 0 | cyclic ketone; erythromycin | |
strontium radioisotopes | [no description available] | medium | 12 | 0 | | |
perfluorooctane sulfonic acid | [no description available] | medium | 8 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
thromboplastin | [no description available] | medium | 2 | 0 | | |
taurine | [no description available] | medium | 14 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
oxytetracycline, anhydrous | [no description available] | medium | 8 | 0 | | |
sulfamic acid | [no description available] | medium | 1 | 0 | sulfamic acids | |
5-hydroxymethylfurfural | [no description available] | medium | 2 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
bms-488043 | [no description available] | medium | 1 | 0 | | |
naringin | [no description available] | medium | 2 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
copper gluconate | [no description available] | medium | 7 | 1 | organic molecular entity | |
calcium lactate | [no description available] | medium | 2 | 0 | | |
losartan potassium | [no description available] | medium | 14 | 0 | | |
apigenin | [no description available] | medium | 3 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
serine | [no description available] | medium | 7 | 1 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
itraconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
tamoxifen | [no description available] | medium | 2 | 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 |
procion blue mx-r | [no description available] | medium | 1 | 0 | | |
n-(2-naphthalenesulfonyl)aspartyl-(2-phenethyl)amide | [no description available] | medium | 1 | 0 | | |
ferric chloride | [no description available] | medium | 16 | 0 | iron coordination entity | astringent; Lewis acid |
histidine | [no description available] | medium | 16 | 1 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
abscisic acid | [no description available] | medium | 8 | 0 | 2-trans-abscisic acid | |
acetylene | [no description available] | medium | 2 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
hydrogen | [no description available] | medium | 50 | 2 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
glycolipids | [no description available] | medium | 23 | 1 | | |
radon | [no description available] | medium | 145 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
isoleucine | [no description available] | medium | 2 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
leucine | [no description available] | medium | 19 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
valine | [no description available] | medium | 6 | 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 |
laminaran | [no description available] | medium | 1 | 1 | | |
fipronil | [no description available] | medium | 1 | 1 | (trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide | |
salinomycin | [no description available] | medium | 2 | 0 | polyketide; spiroketal | animal growth promotant; potassium ionophore |
deferiprone | [no description available] | medium | 3 | 0 | 4-pyridones | iron chelator; protective agent |
transforming growth factor beta | [no description available] | medium | 13 | 0 | | |
tetraethyl lead | [no description available] | medium | 86 | 1 | organolead compound | |
diazinon | [no description available] | medium | 4 | 0 | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
tellurous acid | [no description available] | medium | 7 | 0 | tellurium oxoacid | |
erbium | [no description available] | medium | 11 | 0 | f-block element atom; lanthanoid atom | |
benzene | [no description available] | medium | 71 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
methylphenidate | [no description available] | medium | 8 | 2 | beta-amino acid ester; methyl ester; piperidines | |
thymoquinone | [no description available] | medium | 8 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
dolomite | [no description available] | medium | 8 | 0 | | |
metoprolol | [no description available] | medium | 1 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
gentiopicroside | [no description available] | medium | 1 | 0 | glycoside | |
n-(2-nitro-4-isothiocyanophenyl)imidazole | [no description available] | medium | 1 | 0 | | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
caprolactam | [no description available] | medium | 4 | 1 | caprolactams | human blood serum metabolite |
lysine | [no description available] | medium | 10 | 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 |
sulfadiazine | [no description available] | medium | 3 | 1 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
abemaciclib | [no description available] | medium | 1 | 0 | | |
itaconic acid | [no description available] | medium | 3 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
iodine | [no description available] | medium | 65 | 1 | diatomic iodine | nutrient |
dieldrin | [no description available] | medium | 10 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
aldrin | [no description available] | medium | 3 | 0 | | |
hexachlorobenzene | [no description available] | medium | 16 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
3-phenoxybenzoic acid | [no description available] | medium | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
salicylic acid | [no description available] | medium | 52 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
salicylic acid | [no description available] | medium | 52 | 1 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
adenosine diphosphate | [no description available] | medium | 19 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
maleic anhydride | [no description available] | medium | 4 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
alpha-linolenic acid | [no description available] | medium | 4 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
divinyl benzene | [no description available] | medium | 1 | 0 | styrenes | |
riboflavin | [no description available] | medium | 2 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
sildenafil citrate | [no description available] | medium | 2 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
phthalic acid | [no description available] | medium | 10 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
1,7-phenanthroline | [no description available] | medium | 17 | 0 | phenanthroline | |
sulfur dioxide | [no description available] | medium | 89 | 1 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
orabase | [no description available] | medium | 6 | 0 | | |
lead chromate | [no description available] | medium | 68 | 0 | chromium coordination entity; lead coordination entity | carcinogenic agent; nephrotoxin; neurotoxin |
boranes | [no description available] | medium | 3 | 0 | boranes; mononuclear parent hydride | |
porphobilinogen | [no description available] | medium | 23 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
yttrium radioisotopes | [no description available] | medium | 3 | 0 | | |
epichlorohydrin | [no description available] | medium | 4 | 0 | epoxide; organochlorine compound | |
erlotinib hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
oxyquinoline | [no description available] | medium | 14 | 1 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
luminol | [no description available] | medium | 4 | 1 | | |
hydroxyl radical | [no description available] | medium | 26 | 1 | oxygen hydride; oxygen radical; reactive oxygen species | |
iridium | [no description available] | medium | 10 | 1 | cobalt group element atom; platinum group metal atom | |
chlorquinaldol | [no description available] | medium | 1 | 1 | monohydroxyquinoline; organochlorine compound | antibacterial drug; antiprotozoal drug; antiseptic drug |
indigo carmine | [no description available] | medium | 2 | 1 | | |
n-methyladenosine | [no description available] | medium | 1 | 1 | methyladenosine | |
sodium metabisulfite | [no description available] | medium | 1 | 1 | inorganic sodium salt | food antioxidant |
pyrroles | [no description available] | medium | 18 | 1 | pyrrole; secondary amine | |
dithiothreitol | [no description available] | medium | 30 | 1 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
esmolol | [no description available] | medium | 1 | 1 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
hydrogen sulfide | [no description available] | medium | 21 | 1 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
carmine | [no description available] | medium | 3 | 1 | | |
triclosan | [no description available] | medium | 4 | 1 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
protocatechuic acid | [no description available] | medium | 2 | 1 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
histamine | [no description available] | medium | 19 | 2 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
galactose | [no description available] | medium | 8 | 1 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
ethylene glycol | [no description available] | medium | 5 | 1 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
uracil | [no description available] | medium | 7 | 1 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
acebutolol | [no description available] | medium | 2 | 1 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
shikimic acid | [no description available] | medium | 1 | 1 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
mitomycin | [no description available] | medium | 3 | 1 | mitomycin | alkylating agent; antineoplastic agent |
cefepime | [no description available] | medium | 1 | 1 | cephalosporin; oxime O-ether | antibacterial drug |
glycerol | [no description available] | medium | 19 | 2 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
mevalonic acid | [no description available] | medium | 1 | 1 | 3,5-dihydroxy-3-methylpentanoic acid | |
trifluridine | [no description available] | medium | 1 | 1 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
ma-1 | [no description available] | medium | 1 | 1 | carboxamidine; organochlorine compound; pyrimidone; pyrrolidines | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
regorafenib | [no description available] | medium | 1 | 1 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
sulfites | [no description available] | medium | 7 | 1 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
erythrosine | [no description available] | medium | 15 | 1 | | |
homocysteine | [no description available] | medium | 16 | 1 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
s-nitrosoglutathione | [no description available] | medium | 2 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
3,4-di-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
nitrous acid | [no description available] | medium | 2 | 0 | nitrogen oxoacid | |
lawsone | [no description available] | medium | 4 | 0 | | |
lactic acid | [no description available] | medium | 14 | 1 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
1,4-thiomorpholine-3,5-dicarboxylic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; sulfur-containing carboxylic acid; thiomorpholines | |
d-alpha tocopherol | [no description available] | medium | 61 | 1 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
tobermorite | [no description available] | medium | 2 | 0 | | |
aluminum sulfate | [no description available] | medium | 4 | 0 | aluminium sulfate | |
sinapinic acid | [no description available] | medium | 2 | 0 | sinapic acid | MALDI matrix material; plant metabolite |
rhodamine b | [no description available] | medium | 9 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 2 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
arsenic acid | [no description available] | medium | 15 | 0 | arsenic oxoacid | Escherichia coli metabolite |
perfluorooctanoic acid | [no description available] | medium | 6 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
perfluorobutyric acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | chromatographic reagent; environmental contaminant; xenobiotic |
perfluorobutane sulfonate | [no description available] | medium | 1 | 0 | perfluoroalkanesulfonic acid | surfactant |
dipicolinic acid | [no description available] | medium | 2 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
dimethyldithiocarbamate | [no description available] | medium | 3 | 0 | dithiocarbamate anions | |
tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
angiotensin ii | [no description available] | medium | 17 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
dronabinol | [no description available] | medium | 1 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
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 |
2-mercaptoacetate | [no description available] | medium | 3 | 0 | monocarboxylic acid anion | |
tetrabromobisphenol a | [no description available] | medium | 5 | 0 | brominated flame retardant; bromobisphenol | |
syringic acid | [no description available] | medium | 2 | 0 | benzoic acids; dimethoxybenzene; phenols | plant metabolite |
indium arsenide | [no description available] | medium | 1 | 0 | | |
hydrofluoric acid | [no description available] | medium | 5 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
methamphetamine | [no description available] | medium | 6 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
methadone | [no description available] | medium | 3 | 1 | benzenes; diarylmethane; ketone; tertiary amino compound | |
sdds | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
calcitriol | [no description available] | medium | 22 | 1 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
mica | [no description available] | medium | 2 | 0 | | |
gibberellins | [no description available] | medium | 10 | 0 | | |
plutonium | [no description available] | medium | 22 | 0 | actinoid atom; f-block element atom | |
sodium sulfide | [no description available] | medium | 9 | 0 | | |
procarbazine | [no description available] | medium | 1 | 0 | benzamides; hydrazines | antineoplastic agent |
1-butyl-3-methylimidazolium hexafluorophosphate | [no description available] | medium | 8 | 0 | | |
lincomycin | [no description available] | medium | 2 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
diphosphoric acid | [no description available] | medium | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | Escherichia coli metabolite |
thidiazuron | [no description available] | medium | 1 | 0 | ureas | |
stearic acid | [no description available] | medium | 6 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
fenbendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
ferulic acid | [no description available] | medium | 2 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
azobenzene | [no description available] | medium | 1 | 0 | azobenzenes | |
tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
aniline | [no description available] | medium | 6 | 0 | anilines; primary arylamine | |
nitrosobenzene | [no description available] | medium | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
nitrobenzene | [no description available] | medium | 2 | 0 | nitroarene; nitrobenzenes | |
erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
manganese dioxide | [no description available] | medium | 20 | 0 | manganese molecular entity; metal oxide | |
cyanoginosin lr | [no description available] | medium | 3 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
lead sulfate | [no description available] | medium | 36 | 0 | | |
fisetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
3-hydroxyflavone | [no description available] | medium | 4 | 0 | flavonols; monohydroxyflavone | |
potassium phosphate | [no description available] | medium | 12 | 0 | inorganic phosphate salt; inorganic potassium salt | |
decabromobiphenyl ether | [no description available] | medium | 18 | 0 | polybromodiphenyl ether | neurotoxin |
niacinamide | [no description available] | medium | 3 | 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 |
carbon monoxide | [no description available] | medium | 135 | 1 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
flonicamid | [no description available] | medium | 1 | 0 | nitrile; organofluorine compound; pyridinecarboxamide | environmental contaminant; insecticide; xenobiotic |
3,4,9,10-perylenetetracarboxylic dianhydride | [no description available] | medium | 1 | 0 | | |
2-naphthol orange | [no description available] | medium | 4 | 0 | | |
silver nitrate | [no description available] | medium | 16 | 0 | inorganic nitrate salt; silver salt | astringent |
lead chloride | [no description available] | medium | 151 | 0 | inorganic chloride; lead coordination entity | |
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 |
brassinolide | [no description available] | medium | 8 | 0 | 22-hydroxy steroid; 23-hydroxy steroid; 2alpha-hydroxy steroid; 3alpha-hydroxy steroid; brassinosteroid | plant growth stimulator; plant hormone |
sulfuric acid | [no description available] | medium | 22 | 0 | sulfur oxoacid | catalyst |
gsk-j4 | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 3 | 0 | | |
cadmium sulfide | [no description available] | medium | 30 | 0 | cadmium molecular entity | |
cupric sulfide | [no description available] | medium | 2 | 0 | | |
3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 2 | 0 | | |
4-anisaldehyde | [no description available] | medium | 2 | 0 | benzaldehydes | bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite |
4,4'-diaminodiphenylmethane | [no description available] | medium | 1 | 0 | aromatic amine | allergen; carcinogenic agent |
penicillamine | [no description available] | medium | 111 | 3 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
calcium phosphate, dibasic, dihydrate | [no description available] | medium | 1 | 0 | calcium salt; hydrate | |
diethylhexyl phthalate | [no description available] | medium | 4 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
dibutyl phthalate | [no description available] | medium | 4 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
lead-207 | [no description available] | medium | 6 | 0 | lead(0) | |
salicylaldehyde | [no description available] | medium | 2 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
titanium phosphate | [no description available] | medium | 3 | 0 | | |
n,n'-ethylenediamine disuccinic acid | [no description available] | medium | 12 | 0 | | |
n,n-bis(carboxymethyl)glutamic acid | [no description available] | medium | 1 | 0 | | |
methylmercuric chloride | [no description available] | medium | 9 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
dioleoyl phosphatidylethanolamine | [no description available] | medium | 1 | 0 | phosphatidylethanolamine | |
aminolevulinic acid | [no description available] | medium | 354 | 5 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
lead selenide | [no description available] | medium | 113 | 0 | | |
dinoprostone | [no description available] | medium | 12 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
calcium pyrophosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
kynurenine | [no description available] | medium | 6 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
metaperiodate | [no description available] | medium | 11 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
naphthoquinones | [no description available] | medium | 6 | 0 | | |
tocopherols | [no description available] | medium | 1 | 0 | | |
gluconamide | [no description available] | medium | 1 | 0 | | |
nitrites | [no description available] | medium | 38 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
myelin basic protein | [no description available] | medium | 9 | 0 | | |
morphine | [no description available] | medium | 21 | 1 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
calcium gluconate | [no description available] | medium | 2 | 1 | calcium salt | nutraceutical |
dihydrochalcone | [no description available] | medium | 1 | 0 | dihydrochalcones | plant metabolite |
alamethicin | [no description available] | medium | 1 | 0 | | |
trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
calamine (pharmaceutical preparation) | [no description available] | medium | 1 | 0 | | |
sodium thiosulfate | [no description available] | medium | 3 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
thiosulfates | [no description available] | medium | 8 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
ethylene | [no description available] | medium | 4 | 1 | alkene; gas molecular entity | plant hormone; refrigerant |
2,2'-dipyridyl | [no description available] | medium | 10 | 0 | bipyridine | chelator; ferroptosis inhibitor |
ruthenium | [no description available] | medium | 16 | 0 | iron group element atom; platinum group metal atom | |
cyclohexanone | [no description available] | medium | 1 | 0 | cyclohexanones | human xenobiotic metabolite |
tiletamine hydrochloride | [no description available] | medium | 10 | 0 | | |
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 1 | benzoxazole | |
tretinoin | [no description available] | medium | 4 | 1 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
gefitinib | [no description available] | medium | 1 | 1 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
carboplatin | [no description available] | medium | 1 | 1 | | |
1,2-epoxyhexane | [no description available] | medium | 1 | 1 | | |
peroxynitrous acid | [no description available] | medium | 2 | 1 | nitrogen oxoacid | |
dapoxetine | [no description available] | medium | 1 | 1 | naphthalenes | |
calcium borate | [no description available] | medium | 1 | 1 | | |
acetylcellulose | [no description available] | medium | 5 | 1 | | |
thulium | [no description available] | medium | 4 | 1 | f-block element atom; lanthanoid atom | |
1,n(6)-ethenoadenine | [no description available] | medium | 1 | 1 | imidazo[2,1-i]purine | mutagen |
permanganate | [no description available] | medium | 1 | 1 | manganese oxoacid | |
piperidines | [no description available] | medium | 4 | 1 | | |
lopinavir | [no description available] | medium | 1 | 1 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
isopropyl myristate | [no description available] | medium | 1 | 1 | fatty acid ester | |
muscone | [no description available] | medium | 1 | 1 | | |
memantine | [no description available] | medium | 2 | 1 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
sorbitan monooleate | [no description available] | medium | 1 | 1 | fatty acid ester | |
docetaxel anhydrous | [no description available] | medium | 1 | 1 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
baicalein | [no description available] | medium | 2 | 1 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
baicalin | [no description available] | medium | 2 | 1 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
deoxycytidine | [no description available] | medium | 4 | 1 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
isoflurane | [no description available] | medium | 1 | 1 | organofluorine compound | inhalation anaesthetic |
adenine | [no description available] | medium | 6 | 1 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
ketamine | [no description available] | medium | 1 | 1 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
paclitaxel | [no description available] | medium | 2 | 1 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
sirolimus | [no description available] | medium | 2 | 1 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
voriconazole | [no description available] | medium | 1 | 1 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
catalpol | [no description available] | medium | 1 | 1 | | |
glucagon | [no description available] | medium | 6 | 1 | peptide hormone | |
propylene glycol | [no description available] | medium | 1 | 1 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
ritonavir | [no description available] | medium | 1 | 1 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
gemcitabine | [no description available] | medium | 1 | 1 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
imatinib mesylate | [no description available] | medium | 2 | 1 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
thiamethoxam | [no description available] | medium | 1 | 1 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
axitinib | [no description available] | medium | 1 | 1 | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
menaquinone 6 | [no description available] | medium | 3 | 1 | | |
menaquinone 7 | [no description available] | medium | 2 | 1 | menaquinone | bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite |
quinoxalines | [no description available] | medium | 3 | 1 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
thiazoles | [no description available] | medium | 5 | 1 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
benzoxazoles | [no description available] | medium | 1 | 1 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
pitolisant | [no description available] | medium | 1 | 1 | organochlorine compound | |
galactose | [no description available] | medium | 4 | 1 | | |
2,3-bis(bromomethyl)quinoxaline-1,4-dioxide | [no description available] | medium | 1 | 1 | | |
allicin | [no description available] | medium | 5 | 0 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
bismuth iodide | [no description available] | medium | 1 | 0 | | |
fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
salicylates | [no description available] | medium | 15 | 0 | monohydroxybenzoate | plant metabolite |
aspirin | [no description available] | medium | 7 | 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 |
cryptoxanthins | [no description available] | medium | 1 | 0 | carotenol | antioxidant; biomarker; plant metabolite; provitamin A |
perchlorate | [no description available] | medium | 4 | 0 | chlorine oxoanion; monovalent inorganic anion | |
zingerone | [no description available] | medium | 1 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
guaiacol | [no description available] | medium | 2 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
fluorodeoxyglucose f18 | [no description available] | medium | 2 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
glucose, (beta-d)-isomer | [no description available] | medium | 15 | 0 | D-glucopyranose | epitope; mouse metabolite |
gastrodin | [no description available] | medium | 1 | 0 | glycoside | |
brass | [no description available] | medium | 18 | 0 | | |
alendronate | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
dimethyl phthalate | [no description available] | medium | 4 | 0 | diester; methyl ester; phthalate ester | |
barium sulfate | [no description available] | medium | 20 | 0 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
vanillin | [no description available] | medium | 2 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
trithiocyanuric acid | [no description available] | medium | 2 | 0 | | |
catechol | [no description available] | medium | 4 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
deferoxamine | [no description available] | medium | 12 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
1,2,3,4-butanetetracarboxylic acid | [no description available] | medium | 1 | 0 | | |
metformin | [no description available] | medium | 3 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
azadirachtin | [no description available] | medium | 1 | 0 | acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol | hepatoprotective agent |
rhodizonic acid | [no description available] | medium | 9 | 0 | | |
zinc protoporphyrin ix | [no description available] | medium | 229 | 3 | | |
12-oxophytodienoic acid | [no description available] | medium | 1 | 0 | carbocyclic fatty acid; olefinic fatty acid; oxo carboxylic acid | |
visnagin | [no description available] | medium | 1 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
tetraethylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
sodium bisulfide | [no description available] | medium | 1 | 0 | | |
iminodiacetic acid | [no description available] | medium | 4 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
polygalacturonic acid | [no description available] | medium | 1 | 0 | D-galacturonic acid | |
rhamnose | [no description available] | medium | 2 | 0 | L-rhamnose | |
glucuronic acid | [no description available] | medium | 38 | 0 | D-glucuronic acid | algal metabolite |
sodium metasilicate | [no description available] | medium | 7 | 0 | inorganic sodium salt | |
7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
cyclen | [no description available] | medium | 4 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
chlortetracycline | [no description available] | medium | 4 | 0 | | |
red 2g | [no description available] | medium | 1 | 0 | organic sodium salt | histological dye |
gamma-aminobutyric acid | [no description available] | medium | 37 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
dapi | [no description available] | medium | 2 | 0 | indoles | fluorochrome |
cytosine | [no description available] | medium | 11 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-phenylbutyric acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
medroxyprogesterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
styrene | [no description available] | medium | 11 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
saikosaponin d | [no description available] | medium | 1 | 0 | | |
oleanolic acid | [no description available] | medium | 2 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
2-(1',2',3',4'-tetrahydroxybutyl)thiazolidine-4-carboxylic acid | [no description available] | medium | 1 | 0 | | |
thiazolidines | [no description available] | medium | 2 | 0 | thiazolidine | |
thioacetamide | [no description available] | medium | 6 | 0 | thiocarboxamide | hepatotoxic agent |
malachite green | [no description available] | medium | 2 | 0 | organic chloride salt | antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent |
c.i. 42510 | [no description available] | medium | 11 | 0 | | |
remazol black b | [no description available] | medium | 2 | 0 | | |
neuropeptide y | [no description available] | medium | 1 | 0 | | |
ammonium sulfate | [no description available] | medium | 8 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
ammonium peroxydisulfate | [no description available] | medium | 1 | 0 | | |
ellagic acid | [no description available] | medium | 1 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
calixarenes | [no description available] | medium | 17 | 0 | | |
caprylates | [no description available] | medium | 8 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
pituitrin | [no description available] | medium | 6 | 0 | | |
microcystin | [no description available] | medium | 1 | 0 | peptide | |
acetone | [no description available] | medium | 21 | 1 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
ninhydrin | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
hafnium | [no description available] | medium | 3 | 0 | titanium group element atom | |
hafnia | [no description available] | medium | 1 | 0 | | |
cellulose sulfate | [no description available] | medium | 1 | 0 | ether; flavonoids | |
dimercaprol | [no description available] | medium | 77 | 1 | dithiol; primary alcohol | chelator |
hydrochloric acid | [no description available] | medium | 54 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
benzeneboronic acid | [no description available] | medium | 2 | 0 | boronic acids | |
brine | [no description available] | medium | 4 | 0 | | |
fluorine | [no description available] | medium | 54 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
cadmium oxide | [no description available] | medium | 9 | 0 | | |
guanosine | [no description available] | medium | 5 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
stilbenes | [no description available] | medium | 9 | 0 | stilbene | |
beta carotene | [no description available] | medium | 4 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
mercuric oxide | [no description available] | medium | 1 | 0 | | |
epiglucan | [no description available] | medium | 2 | 0 | | |
ovalbumin | [no description available] | medium | 21 | 0 | | |
putrescine | [no description available] | medium | 6 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
aminopropylsilane | [no description available] | medium | 1 | 0 | | |
cytochromes c1 | [no description available] | medium | 2 | 0 | | |
porphycene | [no description available] | medium | 1 | 0 | | |
phthalocyanine | [no description available] | medium | 2 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
bacteriochlorophyll b | [no description available] | medium | 1 | 0 | | |
bacteriochlorophylls | [no description available] | medium | 2 | 0 | | |
1,4-butanediol | [no description available] | medium | 1 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
terephthalic acid | [no description available] | medium | 2 | 0 | benzenedicarboxylic acid | |
n-heptane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
fluorosulfonic acid | [no description available] | medium | 10 | 0 | sulfur oxoacid | NMR solvent |
1-butanol | [no description available] | medium | 3 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
naphthalimides | [no description available] | medium | 5 | 0 | | |
indium | [no description available] | medium | 38 | 0 | boron group element atom | |
ascorbate-2-phosphate | [no description available] | medium | 1 | 0 | aldonolactone phosphate | |
caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector; mouse metabolite |
dizocilpine maleate | [no description available] | medium | 24 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
5-fluorowillardiine | [no description available] | medium | 1 | 0 | L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | AMPA receptor agonist |
phytic acid | [no description available] | medium | 15 | 0 | inositol phosphate | |
chloramphenicol | [no description available] | medium | 9 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
mesoporphyrin ix | [no description available] | medium | 1 | 0 | | |
2,2',3',4,4',5-hexachlorobiphenyl | [no description available] | medium | 1 | 0 | polychlorobiphenyl | |
vinclozolin | [no description available] | medium | 1 | 0 | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
valproic acid | [no description available] | medium | 6 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
2,2',4,4'-tetrabromodiphenyl ether | [no description available] | medium | 3 | 0 | aromatic ether; organobromine compound | |
oxazoles | [no description available] | medium | 4 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
aldosterone | [no description available] | medium | 10 | 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 |
1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane; volatile organic compound | carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent |
potassium nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; potassium salt | fertilizer |
pyridine | [no description available] | medium | 6 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
cyanine dye 3 | [no description available] | medium | 2 | 0 | | |
methacholine chloride | [no description available] | medium | 7 | 1 | quaternary ammonium salt | |
chlorogenic acid | [no description available] | medium | 6 | 0 | cinnamate ester; tannin | food component; plant metabolite |
bromine | [no description available] | medium | 30 | 0 | diatomic bromine | |
methacrylic acid | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
monoammonium molybdate | [no description available] | medium | 1 | 0 | ammonium salt | poison |
losartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
indomethacin | [no description available] | medium | 6 | 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 |
phenylephrine | [no description available] | medium | 11 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
isoproterenol | [no description available] | medium | 7 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
hexamethonium | [no description available] | medium | 2 | 0 | quaternary ammonium salt | |
4-nitrophenol | [no description available] | medium | 8 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
quinoline | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
neopterin | [no description available] | medium | 3 | 0 | | |
ethylenediamine | [no description available] | medium | 11 | 0 | alkane-alpha,omega-diamine | GABA agonist |
bde 197 | [no description available] | medium | 1 | 0 | | |
formamidine | [no description available] | medium | 8 | 0 | carboxamidine; formamidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
ferric nitrate | [no description available] | medium | 2 | 0 | | |
2-propanol | [no description available] | medium | 5 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
rosoxacin | [no description available] | medium | 2 | 0 | pyridines; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antiinfective agent |
threonine | [no description available] | medium | 5 | 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 |
transferrin | [no description available] | medium | 32 | 1 | | |
piperazine | [no description available] | medium | 2 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
vitamin b 6 | [no description available] | medium | 5 | 0 | | |
pisatin | [no description available] | medium | 1 | 0 | | |
tungsten | [no description available] | medium | 39 | 0 | chromium group element atom | micronutrient |
fluorene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
5-methylcytosine | [no description available] | medium | 3 | 0 | methylcytosine; pyrimidines | human metabolite |
alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
stannic oxide | [no description available] | medium | 12 | 0 | tin oxide | |
spermine | [no description available] | medium | 7 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
pyrrolidine dithiocarbamate | [no description available] | medium | 18 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
pyrithione | [no description available] | medium | 2 | 0 | monohydroxypyridine; pyridinethione | ionophore |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
thimerosal | [no description available] | medium | 4 | 0 | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
magnesium phosphate (2:3) | [no description available] | medium | 3 | 0 | inorganic magnesium salt | |
estriol | [no description available] | medium | 3 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
6,7-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
cyanidin-3-o-beta-glucopyranoside | [no description available] | medium | 1 | 0 | | |
deoxyguanosine | [no description available] | medium | 16 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dichlorodiphenyl dichloroethylene | [no description available] | medium | 23 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
molybdenum disulfide | [no description available] | medium | 3 | 0 | sulfide salt | |
fullerene c60 | [no description available] | medium | 10 | 0 | fullerene | geroprotector |
luteolin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
hexachlorocyclohexane | [no description available] | medium | 2 | 0 | chlorocyclohexane | |
caftaric acid | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
ryanodine | [no description available] | medium | 2 | 0 | | |
berberine | [no description available] | medium | 1 | 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 |
n,n-dimethylarginine | [no description available] | medium | 1 | 0 | dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 1 | 0 | alpha-amino acid | |
chlorophyll b | [no description available] | medium | 8 | 0 | chlorophyll | cofactor |
chlorophyll | [no description available] | medium | 5 | 0 | | |
4-aminopyrimidine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
streptomycin | [no description available] | medium | 5 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
beta-lactams | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
paraquat | [no description available] | medium | 8 | 0 | organic cation | geroprotector; herbicide |
retinol | [no description available] | medium | 17 | 1 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
fibrinogen | [no description available] | medium | 4 | 0 | iditol | fungal metabolite |
1-aminocyclopropane-1-carboxylic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
3-nitrotyrosine | [no description available] | medium | 5 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
4-hydroxy-2-nonenal | [no description available] | medium | 2 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
methylnitronitrosoguanidine | [no description available] | medium | 5 | 0 | nitroso compound | alkylating agent |
tetradecanoylphorbol acetate | [no description available] | medium | 14 | 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 |
3-methyladenine | [no description available] | medium | 1 | 0 | | |
proanthocyanidin | [no description available] | medium | 1 | 0 | | |
indolebutyric acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | auxin; plant hormone; plant metabolite |
thioflavin t | [no description available] | medium | 3 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
levofloxacin | [no description available] | medium | 2 | 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 |
diphenyleneiodonium | [no description available] | medium | 2 | 0 | organic cation | |
technetium | [no description available] | medium | 19 | 0 | manganese group element atom | |
menthol | [no description available] | medium | 3 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
hydrogen cyanide | [no description available] | medium | 2 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
fluorapatite | [no description available] | medium | 4 | 0 | | |
tetrodotoxin | [no description available] | medium | 10 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
aflatoxin b1 | [no description available] | medium | 8 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
1-aminomethylphosphonic acid | [no description available] | medium | 1 | 0 | one-carbon compound; phosphonic acids | |
phosphinothricin | [no description available] | medium | 1 | 0 | organic anion | |
isoxazoles | [no description available] | medium | 1 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
ferric sulfate | [no description available] | medium | 4 | 0 | iron molecular entity; metal sulfate | astringent; catalyst; mordant |
ampelopsin | [no description available] | medium | 1 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
dimethyl mercury | [no description available] | medium | 2 | 0 | methylmercury compound | |
xanthenes | [no description available] | medium | 5 | 0 | xanthene | |
tris(2-aminoethyl)amine | [no description available] | medium | 3 | 0 | tetramine | |
monomethylarsonic acid | [no description available] | medium | 6 | 0 | arsonic acids; one-carbon compound; organoarsonic acid | |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
tryptamine | [no description available] | medium | 1 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
carboxyl radical | [no description available] | medium | 1 | 0 | carbon oxide; organic radical anion | xenobiotic metabolite |
potassium chromate(vi) | [no description available] | medium | 6 | 0 | potassium salt | carcinogenic agent; oxidising agent |
pyridine-2-aldoxime | [no description available] | medium | 1 | 0 | | |
3-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | |
caloreen | [no description available] | medium | 2 | 0 | | |
jasmonic acid | [no description available] | medium | 6 | 0 | oxo monocarboxylic acid | jasmonates; plant metabolite |
cyclopentane | [no description available] | medium | 9 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
11-mercaptoundecanoic acid | [no description available] | medium | 3 | 0 | | |
paeonol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
isatin | [no description available] | medium | 2 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
zinc chromate | [no description available] | medium | 6 | 0 | | |
sybr green i | [no description available] | medium | 2 | 0 | benzothiazolium ion; cyanine dye; quinolines; tertiary amine | fluorescent dye |
aspartic acid | [no description available] | medium | 31 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
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 | |
methyl red | [no description available] | medium | 1 | 0 | | |
2-tert-butylhydroquinone | [no description available] | medium | 3 | 0 | hydroquinones | food antioxidant |
bornite | [no description available] | medium | 1 | 0 | | |
2-methylimidazole | [no description available] | medium | 1 | 0 | | |
trinitrotoluene | [no description available] | medium | 2 | 0 | trinitrotoluene | explosive |
dehydroepiandrosterone | [no description available] | medium | 4 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
monoisoamyl-2,3-dimercaptosuccinate | [no description available] | medium | 8 | 0 | | |
zinc sulfate | [no description available] | medium | 12 | 0 | metal sulfate; zinc molecular entity | fertilizer |
trichloroethylene | [no description available] | medium | 20 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
kaempferol 3-o-rhamnoside | [no description available] | medium | 1 | 0 | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
quinic acid | [no description available] | medium | 1 | 0 | | |
quercitrin | [no description available] | medium | 1 | 0 | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
hexachloroethane | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethanes | carcinogenic agent; refrigerant |
tetrachloroethylene | [no description available] | medium | 6 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
ethane | [no description available] | medium | 5 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
sodium acetate, anhydrous | [no description available] | medium | 4 | 0 | organic sodium salt | NMR chemical shift reference compound |
rhodioloside | [no description available] | medium | 1 | 0 | glycoside | |
phosphoric acid | [no description available] | medium | 16 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
iron oxychloride | [no description available] | medium | 1 | 0 | | |
icaritin | [no description available] | medium | 1 | 0 | | |
lead arsenate | [no description available] | medium | 38 | 0 | inorganic lead salt | insecticide; plant growth regulator; rodenticide |
maleic acid | [no description available] | medium | 4 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
rubeanic acid | [no description available] | medium | 2 | 0 | | |
perfluoro-n-nonanoic acid | [no description available] | medium | 2 | 0 | fluoroalkanoic acid | persistent organic pollutant; surfactant; xenobiotic |
perfluorohexanesulfonic acid | [no description available] | medium | 1 | 0 | perfluoroalkanesulfonic acid | |
1,1,1-trichloroethane | [no description available] | medium | 3 | 0 | chloroethanes | polar solvent |
dimethoate | [no description available] | medium | 4 | 0 | monocarboxylic acid amide; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
carbaryl | [no description available] | medium | 5 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
trehalose | [no description available] | medium | 2 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
n-butyl acrylate | [no description available] | medium | 1 | 0 | acrylate ester | |
selenocysteine | [no description available] | medium | 3 | 0 | | |
cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
ferric hydroxide | [no description available] | medium | 12 | 0 | | |
strontium titanium oxide | [no description available] | medium | 2 | 0 | | |
allyl sulfide | [no description available] | medium | 1 | 0 | organic sulfide | |
arsenobetaine | [no description available] | medium | 1 | 0 | organic salt | |
ferrous sulfide | [no description available] | medium | 2 | 0 | | |
zineb | [no description available] | medium | 5 | 0 | dithiocarbamate salt; macromolecule; zinc coordination entity | antifungal agrochemical |
maneb | [no description available] | medium | 5 | 0 | | |
nabam | [no description available] | medium | 4 | 0 | dithiocarbamic acids | |
ribose | [no description available] | medium | 3 | 0 | D-ribose; ribopyranose | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 3 | 0 | pyrrolidin-2-ones | |
methyleneimine | [no description available] | medium | 1 | 0 | aldimine; one-carbon compound | |
sybr green ii | [no description available] | medium | 1 | 0 | | |
chicoric acid | [no description available] | medium | 1 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
agar | [no description available] | medium | 18 | 0 | | |
tetramethylammonium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
phosphatidylcholines | [no description available] | medium | 12 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
2,2-bis(bromomethyl)-1,3-propanediol | [no description available] | medium | 3 | 0 | primary alcohol | |
formic acid | [no description available] | medium | 10 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
1,10-phenanthroline | [no description available] | medium | 6 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
n,n-carbonyldiimidazole | [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 |
lead tetroxide | [no description available] | medium | 23 | 0 | | |
flutolanil | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
ethoprophos | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; antinematodal drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
o,o-diisopropyl-s-benzylthiophosphate | [no description available] | medium | 1 | 0 | organic thiophosphate | antifungal agrochemical; phospholipid biosynthesis inhibitor |
fenthion | [no description available] | medium | 2 | 0 | organic thiophosphate | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
terbufos | [no description available] | medium | 1 | 0 | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
ceric oxide | [no description available] | medium | 4 | 0 | cerium molecular entity; metal oxide | |
metamitron | [no description available] | medium | 1 | 0 | 1,2,4-triazines | environmental contaminant; herbicide; xenobiotic |
ampicillin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
methampicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
morin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
kanamycin a | [no description available] | medium | 6 | 0 | kanamycins | bacterial metabolite |
n,2,6-trichloro-4-benzoquinone imine | [no description available] | medium | 1 | 0 | | |
salicylaldehyde phenylhydrazone | [no description available] | medium | 1 | 0 | | |
betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
pyrimidine | [no description available] | medium | 2 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
cetyltrimethylammonium ion | [no description available] | medium | 11 | 0 | quaternary ammonium ion | |
benzoic acid | [no description available] | medium | 3 | 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 |
tantalum | [no description available] | medium | 15 | 0 | vanadium group element atom | |
3-o-methylgallic acid | [no description available] | medium | 1 | 0 | benzoic acids; catechols | |
gallic acid | [no description available] | medium | 8 | 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 |
dithizone | [no description available] | medium | 38 | 0 | | |
biliverdine | [no description available] | medium | 2 | 0 | | |
terbium | [no description available] | medium | 12 | 0 | f-block element atom; lanthanoid atom | |
silicon monoxide | [no description available] | medium | 1 | 0 | silicon oxide | |
xanthone | [no description available] | medium | 2 | 0 | xanthones | insecticide |
mangiferin | [no description available] | medium | 1 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
levulinic acid | [no description available] | medium | 3 | 0 | oxopentanoic acid; straight-chain saturated fatty acid | plant metabolite |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
gamma-valerolactone | [no description available] | medium | 1 | 0 | butan-4-olide | flavouring agent; human xenobiotic metabolite |
anthracene | [no description available] | medium | 6 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
diethanolamine | [no description available] | medium | 2 | 0 | ethanolamines | human xenobiotic metabolite |
hydrazine | [no description available] | medium | 9 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
calix(4)arene | [no description available] | medium | 5 | 0 | | |
sodium borohydride | [no description available] | medium | 6 | 0 | inorganic sodium salt; metal tetrahydridoborate | |
sodium citrate, anhydrous | [no description available] | medium | 10 | 0 | organic sodium salt | anticoagulant; flavouring agent |
puerarin | [no description available] | medium | 7 | 0 | C-glycosyl compound; isoflavonoid | |
sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
zirconium phosphate | [no description available] | medium | 7 | 0 | | |
glutaral | [no description available] | medium | 34 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
methylene chloride | [no description available] | medium | 5 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
selenic acid | [no description available] | medium | 2 | 0 | selenium oxoacid | |
thiamine | [no description available] | medium | 33 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
naphthalene | [no description available] | medium | 5 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
texaphyrin | [no description available] | medium | 1 | 0 | | |
singlet oxygen | [no description available] | medium | 2 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
benzofurans | [no description available] | medium | 15 | 0 | | |
evans blue | [no description available] | medium | 3 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
ammonium acetate | [no description available] | medium | 5 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
sodium selenite | [no description available] | medium | 8 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
molybdate ion | [no description available] | medium | 4 | 0 | divalent inorganic anion; molybdenum oxoanion | Escherichia coli metabolite |
ptaquiloside | [no description available] | medium | 1 | 0 | | |
phytanic acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
sesquiterpenes | [no description available] | medium | 1 | 0 | | |
phosphine | [no description available] | medium | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
iridium oxide | [no description available] | medium | 1 | 0 | | |
ethylene dichloride | [no description available] | medium | 6 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
aristolochic acid i | [no description available] | medium | 3 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
acetyl acetonate | [no description available] | medium | 1 | 0 | | |
thiocyanate | [no description available] | medium | 4 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
surfactin peptide | [no description available] | medium | 1 | 0 | | |
laccase | [no description available] | medium | 3 | 0 | | |
adamantanine | [no description available] | medium | 1 | 0 | | |
amantadine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
calcium aluminate | [no description available] | medium | 1 | 0 | | |
trientine | [no description available] | medium | 3 | 0 | polyazaalkane; tetramine | copper chelator |
gastrins | [no description available] | medium | 2 | 0 | | |
levodopa | [no description available] | medium | 6 | 1 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
amitrole | [no description available] | medium | 2 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
phosphoric acid, trisodium salt | [no description available] | medium | 8 | 0 | sodium phosphate | |
zinc phosphate | [no description available] | medium | 2 | 0 | | |
ferrous oxide | [no description available] | medium | 3 | 0 | iron oxide | |
mesalamine | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
2-aminophenol | [no description available] | medium | 2 | 0 | aminophenol | bacterial metabolite |
haloperidol | [no description available] | medium | 15 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
trimesic acid | [no description available] | medium | 1 | 0 | benzoic acids; tricarboxylic acid | |
pyridine-2-carboxaldehyde | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
n-isopropylacrylamide | [no description available] | medium | 2 | 0 | | |
18-crown-6 | [no description available] | medium | 3 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
amyloid beta-peptides | [no description available] | medium | 5 | 0 | | |
florisil | [no description available] | medium | 1 | 0 | | |
marrubiin | [no description available] | medium | 1 | 0 | gamma-lactone | |
marrubenol | [no description available] | medium | 1 | 0 | | |
digoxin | [no description available] | medium | 6 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
barium titanate(iv) | [no description available] | medium | 3 | 0 | | |
lead titanate | [no description available] | medium | 32 | 0 | | |
uridine monophosphate | [no description available] | medium | 4 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester | antiviral drug; hepatitis C protease inhibitor; prodrug |
rg 7128 | [no description available] | medium | 1 | 0 | | |
hydrobromic acid | [no description available] | medium | 2 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
lead magnesium niobate | [no description available] | medium | 13 | 0 | | |
sodium niobate | [no description available] | medium | 2 | 0 | | |
uranyl acetate | [no description available] | medium | 24 | 0 | | |
hydroxyethyl methacrylate | [no description available] | medium | 5 | 0 | enoate ester | allergen; polymerisation monomer |
xylenol orange | [no description available] | medium | 4 | 0 | | |
15-crown-5 | [no description available] | medium | 3 | 0 | crown ether; saturated organic heteromonocyclic parent | |
12-crown-4 | [no description available] | medium | 1 | 0 | crown ether; saturated organic heteromonocyclic parent | |
mezerein | [no description available] | medium | 1 | 0 | diterpenoid | |
egtazic acid | [no description available] | medium | 23 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
chloramine | [no description available] | medium | 13 | 0 | halide | |
samarium | [no description available] | medium | 10 | 0 | f-block element atom; lanthanoid atom | |
potassium hydroxide | [no description available] | medium | 7 | 0 | alkali metal hydroxide | |
umi-77 | [no description available] | medium | 1 | 0 | | |
stearates | [no description available] | medium | 6 | 0 | | |
lithium borate | [no description available] | medium | 2 | 0 | borate salts | |
diamide | [no description available] | medium | 2 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
nimesulide | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
carbon tetrachloride | [no description available] | medium | 17 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
pd 98059 | [no description available] | medium | 3 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
rtki cpd | [no description available] | medium | 1 | 0 | | |
pd 153035 | [no description available] | medium | 1 | 0 | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
quinazolines | [no description available] | medium | 2 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
zinc chloride | [no description available] | medium | 24 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
neodymium | [no description available] | medium | 16 | 0 | f-block element atom; lanthanoid atom | |
dysprosium | [no description available] | medium | 9 | 0 | f-block element atom; lanthanoid atom | |
dimethyl sulfate | [no description available] | medium | 6 | 0 | alkyl sulfate | alkylating agent; immunosuppressive agent |
diethyl aminoethyl hexanoate | [no description available] | medium | 2 | 0 | | |
tetrahydrofuran | [no description available] | medium | 2 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
8-hydroxyquinoline-5-sulfonic acid | [no description available] | medium | 1 | 0 | | |
perfluorodecanoic acid | [no description available] | medium | 2 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
hexadecafluoro-nonanoic acid | [no description available] | medium | 1 | 0 | hexadecafluorononanoic acid | |
furaldehyde | [no description available] | medium | 3 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
grayanotoxin i | [no description available] | medium | 1 | 0 | acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid | antihypertensive agent; metabolite; neuromuscular agent; phytotoxin |
sodium fluoride | [no description available] | medium | 16 | 0 | fluoride salt | mutagen |
diaminopimelic acid | [no description available] | medium | 2 | 0 | 2,6-diaminopimelic acid; amino acid zwitterion | Escherichia coli metabolite |
glycidyl nitrate | [no description available] | medium | 2 | 0 | | |
cypermethrin | [no description available] | medium | 6 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound | agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide |
flubendiamide | [no description available] | medium | 1 | 0 | organofluorine insecticide | ryanodine receptor modulator |
deferasirox | [no description available] | medium | 1 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
vanadates | [no description available] | medium | 11 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
boric acid | [no description available] | medium | 7 | 0 | boric acids | astringent |
u 0126 | [no description available] | medium | 3 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
bromobenzene | [no description available] | medium | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
alkenes | [no description available] | medium | 5 | 0 | | |
trifluoromethanesulfonic acid | [no description available] | medium | 1 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
cadaverine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
tolfenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
3-(trimethoxysilyl)propyl methacrylate | [no description available] | medium | 2 | 0 | | |
troglitazone | [no description available] | medium | 2 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
4-methacryloxyethyltrimellitic acid anhydride | [no description available] | medium | 1 | 0 | | |
benzo(k)fluoranthene | [no description available] | medium | 1 | 0 | naphthalenes | |
oleic acid | [no description available] | medium | 4 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
benzilonium bromide | [no description available] | medium | 1 | 0 | | |
sepharose | [no description available] | medium | 7 | 0 | | |
paraoxon | [no description available] | medium | 1 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
cyanidin | [no description available] | medium | 3 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
whewellite | [no description available] | medium | 2 | 0 | | |
sodium sulfate | [no description available] | medium | 4 | 0 | inorganic sodium salt | |
decitabine | [no description available] | medium | 1 | 0 | 2'-deoxyribonucleoside | |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
esculetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
1-hydroxypyrene | [no description available] | medium | 6 | 0 | pyrenes | |
2-naphthol | [no description available] | medium | 12 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
rhodamine 6g | [no description available] | medium | 6 | 0 | | |
leptin | [no description available] | medium | 3 | 0 | | |
thionine | [no description available] | medium | 2 | 0 | | |
lead fluoride | [no description available] | medium | 15 | 0 | | |
dibenzo-18-crown-6 | [no description available] | medium | 1 | 0 | benzenes; crown ether | phase-transfer catalyst |
hydroxyurea | [no description available] | medium | 2 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
chymosin | [no description available] | medium | 1 | 0 | | |
carboxymethyl-beta-cyclodextrin | [no description available] | medium | 3 | 0 | | |
mercuric chloride | [no description available] | medium | 32 | 0 | mercury coordination entity | sensitiser |
sodium oxide | [no description available] | medium | 4 | 0 | | |
4-(2-pyridylazo)resorcinol | [no description available] | medium | 2 | 0 | | |
tetrabutylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
bismuth germanium oxide | [no description available] | medium | 2 | 0 | | |
1,8-diaminonaphthalene | [no description available] | medium | 1 | 0 | | |
2-naphthylamine | [no description available] | medium | 3 | 0 | naphthylamine | carcinogenic agent |
ether | [no description available] | medium | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
fluorescein-5-isothiocyanate | [no description available] | medium | 3 | 0 | fluorescein isothiocyanate | |
2'-deoxyguanosine 5'-phosphate | [no description available] | medium | 1 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
mannans | [no description available] | medium | 7 | 0 | | |
pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
ethyl cellulose | [no description available] | medium | 1 | 0 | glycoside | |
tetrabromobisphenol a diglycidyl ether | [no description available] | medium | 1 | 0 | | |
sodium chromate(vi) | [no description available] | medium | 10 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
barium chloride | [no description available] | medium | 2 | 0 | barium salt; inorganic chloride | potassium channel blocker |
carbenoxolone sodium | [no description available] | medium | 1 | 0 | triterpenoid | |
lithium fluoride | [no description available] | medium | 6 | 0 | | |
veratridine | [no description available] | medium | 3 | 0 | | |
holmium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
withaferin a | [no description available] | medium | 1 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
gibberellic acid | [no description available] | medium | 9 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
vinyl chloride | [no description available] | medium | 14 | 0 | chloroethenes; gas molecular entity; monohaloethene | carcinogenic agent |
thymine | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
ubiquinone | [no description available] | medium | 7 | 0 | | |
ubiquinone 9 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; human metabolite |
angiotensinogen | [no description available] | medium | 2 | 0 | | |
6-bromoindirubin-3'-oxime | [no description available] | medium | 1 | 0 | | |
medicarpin | [no description available] | medium | 1 | 0 | medicarpin | plant metabolite |
cerium phosphate | [no description available] | medium | 4 | 0 | | |
carvacrol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
acetovanillone | [no description available] | medium | 2 | 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 |
1-hexene | [no description available] | medium | 1 | 0 | alkene | |
enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
ruthenium dioxide | [no description available] | medium | 4 | 0 | | |
sodium dodecyl sulfate | [no description available] | medium | 16 | 0 | organic sodium salt | detergent; protein denaturant |
n-hexadecane | [no description available] | medium | 1 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
sulfapyridine | [no description available] | medium | 1 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
buthionine sulfoximine | [no description available] | medium | 3 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
carbazole | [no description available] | medium | 1 | 0 | carbazole | |
potassium chloride | [no description available] | medium | 27 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
meldrum's acid | [no description available] | medium | 1 | 0 | | |
adrenomedullin | [no description available] | medium | 3 | 0 | | |
endothelin-1 | [no description available] | medium | 5 | 0 | | |
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor |
phenyl-n-tert-butylnitrone | [no description available] | medium | 2 | 0 | | |
barium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; inorganic barium salt | |
magnesium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt | antacid; fertilizer |
calpain | [no description available] | medium | 3 | 0 | | |
sorbic acid | [no description available] | medium | 6 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
muconic acid | [no description available] | medium | 6 | 0 | muconic acid | biomarker; human xenobiotic metabolite |
1-(2-pyridylazo)-2-naphthol | [no description available] | medium | 5 | 0 | | |
s-adenosylhomocysteine | [no description available] | medium | 1 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
tetrachloroisophthalonitrile | [no description available] | medium | 1 | 0 | aromatic fungicide; dinitrile; tetrachlorobenzene | antifungal agrochemical |
ubiquinone 8 | [no description available] | medium | 1 | 0 | ubiquinones | biomarker |
ginsenosides | [no description available] | medium | 3 | 0 | | |
retinol acetate | [no description available] | medium | 1 | 0 | acetate ester | |
perfluorooctanesulfonamide | [no description available] | medium | 1 | 0 | perfluorinated compound; sulfonamide | persistent organic pollutant |
hexacyanoferrate iii | [no description available] | medium | 3 | 0 | | |
rhodanine | [no description available] | medium | 2 | 0 | thiazolidinone | |
coumarin | [no description available] | medium | 4 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
bathocuproine | [no description available] | medium | 1 | 0 | | |
dichlorodiphenyldichloroethane | [no description available] | medium | 7 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
aflatoxin m1 | [no description available] | medium | 2 | 0 | aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol | Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite |
melamine formaldehyde | [no description available] | medium | 1 | 0 | | |
silver bromide | [no description available] | medium | 1 | 0 | | |
tetraethylenepentamine | [no description available] | medium | 2 | 0 | polyazaalkane | copper chelator |
technetium tc 99m pentetate | [no description available] | medium | 1 | 0 | | |
technetium tc 99m-ethylenedicysteine | [no description available] | medium | 1 | 0 | | |
chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
cadmium nitrate | [no description available] | medium | 13 | 0 | cadmium salt; inorganic nitrate salt | carcinogenic agent; genotoxin; hepatotoxic agent |
zinc nitrate | [no description available] | medium | 3 | 0 | | |
nickel nitrate | [no description available] | medium | 2 | 0 | | |
copper(ii) nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
bicalutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
rhodium | [no description available] | medium | 14 | 0 | cobalt group element atom | |
phosphoramidite | [no description available] | medium | 2 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 6 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
acetonitrile | [no description available] | medium | 3 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
2-thiocytosine | [no description available] | medium | 1 | 0 | | |
galaxolide | [no description available] | medium | 1 | 0 | isochromenes; organic heterotricyclic compound | fragrance |
diacetylfluorescein | [no description available] | medium | 1 | 0 | | |
chloroacetic acid | [no description available] | medium | 1 | 0 | chlorocarboxylic acid; haloacetic acid | alkylating agent; herbicide |
fluorescein | [no description available] | medium | 2 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
ethidium | [no description available] | medium | 4 | 0 | phenanthridines | fluorochrome; intercalator |
methyl orange | [no description available] | medium | 1 | 0 | | |
dihydroxyphenylalanine | [no description available] | medium | 5 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
pentamine | [no description available] | medium | 1 | 0 | | |
2-methylpentane | [no description available] | medium | 4 | 0 | alkane | |
strontium nitrate | [no description available] | medium | 1 | 0 | | |
5-hydroxymethylcytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
deet | [no description available] | medium | 2 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
fluoranthene | [no description available] | medium | 3 | 0 | ortho- and peri-fused polycyclic arene | |
strontium chromate | [no description available] | medium | 3 | 0 | | |
monazite | [no description available] | medium | 1 | 0 | | |
9,10-diphenylanthracene | [no description available] | medium | 1 | 0 | anthracenes | fluorochrome; photosensitizing agent |
rubrene | [no description available] | medium | 1 | 0 | | |
xenon | [no description available] | medium | 8 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
safranine t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye |
carnosine | [no description available] | medium | 2 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
vitamin mk 8 | [no description available] | medium | 1 | 0 | menaquinone | Escherichia coli metabolite; human metabolite |
sodium nitrite | [no description available] | medium | 4 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
triflimide | [no description available] | medium | 1 | 0 | | |
fructans | [no description available] | medium | 1 | 0 | | |
1,1'-binaphthyl-2,2'-diyl hydrogen phosphate | [no description available] | medium | 1 | 0 | | |
3-mercaptopropionic acid | [no description available] | medium | 3 | 0 | mercaptopropanoic acid | algal metabolite |
bromodeoxyuridine | [no description available] | medium | 6 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
lactose | [no description available] | medium | 9 | 0 | lactose | |
fluorouracil | [no description available] | medium | 5 | 1 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
glycosides | [no description available] | medium | 9 | 0 | | |
imidazole | [no description available] | medium | 3 | 0 | imidazole | |
copper sulfate | [no description available] | medium | 16 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
ecdysterone | [no description available] | medium | 2 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
monensin | [no description available] | medium | 8 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
trinitrobenzenesulfonic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
genistein | [no description available] | medium | 2 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
ammonium sulfide | [no description available] | medium | 1 | 0 | | |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
sym-homospermidine | [no description available] | medium | 1 | 0 | polyazaalkane; triamine | |
triphenyltin | [no description available] | medium | 1 | 0 | | |
diphenyltin | [no description available] | medium | 1 | 0 | | |
diethyllead | [no description available] | medium | 13 | 0 | | |
mono-n-butyltin | [no description available] | medium | 1 | 0 | | |
carbamazepine | [no description available] | medium | 3 | 0 | dibenzoazepine; ureas | analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic |
octacalcium phosphate | [no description available] | medium | 1 | 0 | | |
1-naphthaleneacetic acid | [no description available] | medium | 1 | 0 | naphthylacetic acid | synthetic auxin |
1,2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | phosphatidylcholine(1+) | |
colfosceril palmitate | [no description available] | medium | 1 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0 | mouse metabolite; surfactant |
1,2-dioleoyl-sn-glycero-3-phosphoglycerol | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) | |
cytellin | [no description available] | medium | 3 | 0 | | |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
ethylene dibromide | [no description available] | medium | 11 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
ruthenium chloride (rucl3) | [no description available] | medium | 1 | 0 | | |
dimethyl phosphate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
quinacrine | [no description available] | medium | 3 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
staurosporine | [no description available] | medium | 3 | 0 | ammonium ion derivative | |
charybdotoxin | [no description available] | medium | 5 | 0 | | |
2-toluidine | [no description available] | medium | 2 | 0 | aminotoluene | carcinogenic agent |
amoxicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
gluconic acid | [no description available] | medium | 2 | 1 | gluconic acid | chelator; Penicillium metabolite |
caseins | [no description available] | medium | 18 | 0 | | |
lithium chloride | [no description available] | medium | 5 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
californium | [no description available] | medium | 4 | 0 | actinoid atom; f-block element atom | |
americium | [no description available] | medium | 7 | 0 | actinoid atom; f-block element atom | |
2,4-dinitrotoluene | [no description available] | medium | 1 | 0 | dinitrotoluene | |
dinitrobenzenes | [no description available] | medium | 3 | 0 | | |
acephate | [no description available] | medium | 1 | 0 | mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
methacrylamide | [no description available] | medium | 1 | 0 | acrylamides; primary carboxamide | |
2-ethylhexanol | [no description available] | medium | 1 | 0 | primary alcohol | plant metabolite; volatile oil component |
n-butyl glycidyl ether | [no description available] | medium | 1 | 0 | | |
dimethylamine | [no description available] | medium | 1 | 0 | methylamines; secondary aliphatic amine | metabolite |
1-hexanol | [no description available] | medium | 1 | 0 | hexanol; primary alcohol | alarm pheromone; antibacterial agent; fragrance; plant metabolite |
tetraethoxysilane | [no description available] | medium | 1 | 0 | | |
1,6-diaminohexane | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | human xenobiotic metabolite |
wortmannin | [no description available] | medium | 2 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
trimetaphosphoric acid | [no description available] | medium | 1 | 0 | cyclic phosphorus acid anhydride; inorganic heterocyclic compound; phosphorus oxoacid | |
sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine 1-phosphate | [no description available] | medium | 1 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
fe(iii)-edta | [no description available] | medium | 3 | 1 | iron coordination entity | |
pyruvaldehyde | [no description available] | medium | 2 | 0 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
krypton | [no description available] | medium | 4 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
fumonisin b1 | [no description available] | medium | 1 | 0 | diester; fumonisin; primary amino compound; triol | carcinogenic agent; metabolite |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
propylparaben | [no description available] | medium | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
barium nitrate | [no description available] | medium | 1 | 0 | inorganic barium salt; inorganic nitrate salt | |
4-nitrophenyl beta-d-xyloside | [no description available] | medium | 1 | 0 | C-nitro compound; xyloside | chromogenic compound |
florfenicol | [no description available] | medium | 1 | 0 | organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone | antimicrobial agent |
thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
alpha-asarone | [no description available] | medium | 1 | 0 | asarone | anticonvulsant; GABA modulator |
11-cis-retinal | [no description available] | medium | 4 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
mitoquinone | [no description available] | medium | 1 | 0 | | |
3-xylene | [no description available] | medium | 1 | 0 | xylene | |
selenourea | [no description available] | medium | 1 | 0 | | |
cyanamide | [no description available] | medium | 3 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
amylopectin | [no description available] | medium | 1 | 0 | | |
chondroitin sulfates | [no description available] | medium | 3 | 0 | | |
potassium iodide | [no description available] | medium | 5 | 0 | potassium salt | expectorant; radical scavenger |
tartrazine | [no description available] | medium | 2 | 0 | | |
2'-deoxyuridylic acid | [no description available] | medium | 1 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
solochrome cyanine r | [no description available] | medium | 1 | 0 | | |
methionine | [no description available] | medium | 28 | 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 |
pyrazolone | [no description available] | medium | 1 | 0 | | |
diethylene glycol | [no description available] | medium | 2 | 0 | hydroxyether | |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
furazolidone | [no description available] | medium | 1 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
cobaltous chloride | [no description available] | medium | 5 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
cadmium sulfate | [no description available] | medium | 6 | 0 | cadmium salt | |
(3-mercaptopropyl)trimethoxysilane | [no description available] | medium | 3 | 0 | | |
mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
n-acetylaspartic acid | [no description available] | medium | 5 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
creatine | [no description available] | medium | 14 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
cesium iodide | [no description available] | medium | 2 | 0 | | |
alizarin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | chromophore; dye; plant metabolite |
dehydroascorbic acid | [no description available] | medium | 2 | 0 | dehydroascorbic acid; vitamin C | coenzyme; mouse metabolite |
carbachol | [no description available] | medium | 4 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
pirenzepine | [no description available] | medium | 2 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
methoctramine | [no description available] | medium | 1 | 0 | hydrochloride | muscarinic antagonist |
indium trichloride | [no description available] | medium | 2 | 0 | | |
pyrazolanthrone | [no description available] | medium | 2 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
prolinedithiocarbamate | [no description available] | medium | 1 | 0 | | |
heroin | [no description available] | medium | 4 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
1,2,3-trichlorobenzene | [no description available] | medium | 1 | 0 | trichlorobenzene | |
lutetium | [no description available] | medium | 3 | 0 | d-block element atom; lanthanoid atom | |
arginine vasopressin | [no description available] | medium | 2 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
s-adenosylmethionine | [no description available] | medium | 5 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
fura-2 | [no description available] | medium | 9 | 0 | | |
niobium pentoxide | [no description available] | medium | 3 | 0 | | |
yttrium | [no description available] | medium | 13 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
methamidophos | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; avicide |
17-ketosteroids | [no description available] | medium | 6 | 0 | | |
phenylhydrazine | [no description available] | medium | 3 | 0 | phenylhydrazines | xenobiotic |
methylnitrosourea | [no description available] | medium | 3 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
4-cyano-4'-pentylbiphenyl | [no description available] | medium | 1 | 0 | | |
unithiol | [no description available] | medium | 19 | 0 | | |
actinium | [no description available] | medium | 9 | 0 | actinoid atom; f-block element atom; scandium group element atom | |
thiouracil | [no description available] | medium | 6 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
silicon nitride | [no description available] | medium | 2 | 0 | | |
tetra(4-n-methylpyridyl)porphine | [no description available] | medium | 2 | 0 | | |
2-carboxy-2'-hydroxy-5'-sulfoformazylbenzene | [no description available] | medium | 4 | 0 | | |
formazans | [no description available] | medium | 4 | 0 | | |
fr 109615 | [no description available] | medium | 1 | 1 | | |
cycloleucine | [no description available] | medium | 1 | 1 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
mitoxantrone | [no description available] | medium | 1 | 1 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
trypan blue | [no description available] | medium | 6 | 0 | | |
acetyl coenzyme a | [no description available] | medium | 3 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
quebrachamine | [no description available] | medium | 1 | 0 | alkaloid | |
rutin | [no description available] | medium | 3 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
cerous chloride | [no description available] | medium | 2 | 0 | cerium coordination entity | |
ammonium chloride | [no description available] | medium | 3 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
1,2,4-triazole | [no description available] | medium | 1 | 0 | 1,2,4-triazole | |
arachidic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
ammonium nitrate | [no description available] | medium | 5 | 0 | ammonium salt; inorganic molecular entity; inorganic nitrate salt | explosive; fertilizer; oxidising agent |
1,2-ethanedithiol | [no description available] | medium | 2 | 0 | | |
6-carboxyfluorescein | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
2,3,5,4'-tetrahydroxystilbene 2-o-glucopyranoside | [no description available] | medium | 1 | 0 | | |
adamantane | [no description available] | medium | 2 | 0 | adamantanes; polycyclic alkane | |
nickel monoxide | [no description available] | medium | 1 | 0 | | |
bisbenzimidazole | [no description available] | medium | 1 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
astatine | [no description available] | medium | 1 | 0 | elemental astatine | |
iodoform | [no description available] | medium | 2 | 0 | iodomethanes | |
thapsigargin | [no description available] | medium | 10 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
n-(2-carboxyphenyl)glycine | [no description available] | medium | 1 | 0 | | |
htr composite | [no description available] | medium | 1 | 0 | | |
cuprous chloride | [no description available] | medium | 2 | 0 | copper molecular entity; inorganic chloride | agrochemical; molluscicide |
sodium nitrate | [no description available] | medium | 5 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
cysteamine | [no description available] | medium | 11 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
ethylene oxide | [no description available] | medium | 3 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
2-chlorobiphenyl | [no description available] | medium | 1 | 0 | monochlorobiphenyl | |
pyronine | [no description available] | medium | 3 | 0 | iminium salt; organic chloride salt | histological dye |
ethyl methacrylate monomer | [no description available] | medium | 1 | 0 | | |
methyl acrylate | [no description available] | medium | 1 | 0 | enoate ester | |
titanium nitride (tin) | [no description available] | medium | 1 | 0 | | |
silicon carbide | [no description available] | medium | 2 | 0 | organosilicon compound | |
gossypin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | neuroprotective agent; plant metabolite |
trimethyltin chloride | [no description available] | medium | 1 | 0 | | |
sodium tungstate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | reagent |
zirconium oxychloride | [no description available] | medium | 1 | 0 | | |
cinnamamide | [no description available] | medium | 1 | 0 | cinnamamide | |
n,n'-methylenebisacrylamide | [no description available] | medium | 1 | 0 | | |
protoporphyrin ix | [no description available] | medium | 12 | 0 | | |
salophen | [no description available] | medium | 1 | 0 | carbonyl compound | |
dimethylacetamide | [no description available] | medium | 3 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 11 | 0 | tetrachlorophenol | xenobiotic metabolite |
2,4,6-trichlorophenol | [no description available] | medium | 3 | 0 | trichlorophenol | carcinogenic agent |
succinic anhydride | [no description available] | medium | 2 | 0 | cyclic dicarboxylic anhydride; tetrahydrofurandione | |
thiram | [no description available] | medium | 5 | 0 | organic disulfide | antibacterial drug; antifungal agrochemical; antiseptic drug |
triphenyllead chloride | [no description available] | medium | 3 | 0 | | |
triphenyltin chloride | [no description available] | medium | 2 | 0 | chlorine molecular entity; organotin compound | antifungal agrochemical; immunosuppressive agent |
2-amino-5,6,7-trimethyl-1,8-naphthyridine | [no description available] | medium | 1 | 0 | | |
iridium radioisotopes | [no description available] | medium | 9 | 0 | | |
trimethyllead | [no description available] | medium | 11 | 0 | | |
triethyllead | [no description available] | medium | 69 | 0 | | |
methyl bensulfuron | [no description available] | medium | 1 | 0 | aromatic ether; methyl ester; N-sulfonylurea; pyrimidines | agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide |
2-xylene | [no description available] | medium | 1 | 0 | xylene | |
hydrogen carbonate | [no description available] | medium | 12 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
chlorocresol | [no description available] | medium | 1 | 0 | hydroxytoluene; monochlorobenzenes | antimicrobial agent; disinfectant; ryanodine receptor agonist |
fluorophosphate | [no description available] | medium | 3 | 0 | fluorine molecular entity; phosphoric acid derivative | |
indium phosphide | [no description available] | medium | 2 | 0 | | |
nickel chloride | [no description available] | medium | 3 | 0 | nickel coordination entity | calcium channel blocker; hapten |
triphosphoric acid | [no description available] | medium | 3 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
alcian blue | [no description available] | medium | 2 | 0 | | |
silver diethyldithiocarbamate | [no description available] | medium | 1 | 0 | | |
lead hydroxide | [no description available] | medium | 7 | 0 | | |
diisopropylamine | [no description available] | medium | 1 | 0 | | |
potassium dichromate | [no description available] | medium | 7 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
hexafluorosilicic acid | [no description available] | medium | 1 | 0 | | |
2,4-dichlorophenol | [no description available] | medium | 3 | 0 | dichlorophenol | |
pyromellitic dianhydride | [no description available] | medium | 1 | 0 | | |
pilocarpine | [no description available] | medium | 3 | 0 | pilocarpine | antiglaucoma drug |
atropine | [no description available] | medium | 7 | 0 | | |
lead acetate, basic | [no description available] | medium | 6 | 0 | | |
cryolite | [no description available] | medium | 2 | 0 | inorganic sodium salt; perfluorometallate salt | |
chlorobenzene | [no description available] | medium | 3 | 0 | monochlorobenzenes | solvent |
pyrrole-2-carboxaldehyde | [no description available] | medium | 1 | 0 | 1,3-thiazole-2-carbaldehyde; pyrroles | |
scandium | [no description available] | medium | 10 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
tributyl phosphate | [no description available] | medium | 1 | 0 | trialkyl phosphate | |
rottlerin | [no description available] | medium | 1 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
tungstate | [no description available] | medium | 3 | 0 | divalent inorganic anion; tungsten oxoanion | |
2',7'-dichlorofluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans | fluorochrome |
arabinose | [no description available] | medium | 1 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
2,4-dinitrophenylhydrazine | [no description available] | medium | 1 | 0 | C-nitro compound; phenylhydrazines | reagent |
niacin | [no description available] | medium | 3 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
elastin | [no description available] | medium | 2 | 0 | oligopeptide | |
2-ethylhexanoic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid | |
ethylbenzene | [no description available] | medium | 3 | 0 | alkylbenzene | |
pyridoxal phosphate | [no description available] | medium | 5 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pentylenetetrazole | [no description available] | medium | 2 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
fumaric acid | [no description available] | medium | 2 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
fumarates | [no description available] | medium | 2 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
tetrathiafulvalene | [no description available] | medium | 3 | 0 | fulvalenes; organosulfur heterocyclic compound | |
ferrous chloride | [no description available] | medium | 3 | 0 | iron coordination entity | |
cyclic gmp | [no description available] | medium | 20 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
2-(n-morpholino)ethanesulfonic acid | [no description available] | medium | 1 | 0 | MES; organosulfonic acid; zwitterion | |
laurosept | [no description available] | medium | 1 | 0 | | |
2,5-diphenyloxazole | [no description available] | medium | 1 | 0 | | |
methyl parathion | [no description available] | medium | 2 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
4-aminophenylphosphate | [no description available] | medium | 1 | 0 | | |
chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
oxadiazoles | [no description available] | medium | 2 | 0 | | |
cryptand 2.2 | [no description available] | medium | 1 | 0 | | |
as 1411 | [no description available] | medium | 1 | 0 | | |
amplex red | [no description available] | medium | 2 | 0 | | |
harmine | [no description available] | medium | 2 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
harman | [no description available] | medium | 2 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
n-acetylcysteinamide | [no description available] | medium | 3 | 0 | | |
4-nonylphenol | [no description available] | medium | 2 | 0 | phenols | environmental contaminant |
phenylalanine | [no description available] | medium | 8 | 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 |
4-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
ampyrone | [no description available] | medium | 1 | 0 | primary amino compound; pyrazolone | antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
ettringite | [no description available] | medium | 1 | 0 | | |
cycloheximide | [no description available] | medium | 19 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
2',7'-dichlorodihydrofluorescein diacetate | [no description available] | medium | 1 | 0 | | |
acid violet 17 | [no description available] | medium | 1 | 0 | | |
1,1,3,3-tetramethylurea | [no description available] | medium | 1 | 0 | ureas | human metabolite |
n,n'-dimethylpropyleneurea | [no description available] | medium | 1 | 0 | | |
dicyclohexyl-18-crown-6 | [no description available] | medium | 1 | 0 | | |
4-thiopyridine | [no description available] | medium | 2 | 0 | | |
picogreen | [no description available] | medium | 1 | 0 | benzothiazoles; cyanine dye; quinolines; tertiary amine | fluorescent dye |
lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant; plant metabolite |
cadmium acetate | [no description available] | medium | 4 | 0 | | |
thiohydantoins | [no description available] | medium | 1 | 0 | | |
carbamates | [no description available] | medium | 10 | 0 | amino-acid anion | |
propetamphos | [no description available] | medium | 1 | 0 | isopropyl ester; organophosphate insecticide; phosphoramidate ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
vasoactive intestinal peptide | [no description available] | medium | 2 | 0 | | |
dichlobanil | [no description available] | medium | 1 | 0 | dichlorobenzene; nitrile | agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic |
coproporphyrin i | [no description available] | medium | 3 | 0 | | |
s-nitrosocysteine | [no description available] | medium | 2 | 0 | L-cysteine derivative; nitrosothio compound | hematologic agent; platelet aggregation inhibitor; vasodilator agent |
ferric citrate | [no description available] | medium | 1 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
allyl alcohol | [no description available] | medium | 1 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
dodecylamine | [no description available] | medium | 2 | 0 | primary aliphatic amine | |
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | [no description available] | medium | 2 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid | [no description available] | medium | 1 | 0 | azamacrocycle | chelator; copper chelator |
ytterbium | [no description available] | medium | 12 | 0 | f-block element atom; lanthanoid atom | |
chlordan | [no description available] | medium | 5 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
resorcinol | [no description available] | medium | 3 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
phytosterols | [no description available] | medium | 2 | 0 | | |
osmium tetroxide | [no description available] | medium | 7 | 0 | osmium coordination entity | fixative; histological dye; oxidising agent; poison |
perylenediimide | [no description available] | medium | 2 | 0 | dicarboximide; organic heteropolycyclic compound | fluorochrome |
molybdenum trioxide | [no description available] | medium | 1 | 0 | molybdenum oxide | |
captopril | [no description available] | medium | 3 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
squalene | [no description available] | medium | 1 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
nad | [no description available] | medium | 15 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
2,5-dimercapto-1,3,4-thiadiazole | [no description available] | medium | 2 | 0 | | |
2-hydroxy-4-methoxybenzaldehyde | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
chromated copper arsenate | [no description available] | medium | 1 | 0 | | |
gadolinium | [no description available] | medium | 6 | 0 | f-block element atom; lanthanoid atom | |
thiosuccinic acid | [no description available] | medium | 1 | 0 | | |
adapalene | [no description available] | medium | 1 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
neptunium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
alpha-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
p-dimethylaminoazobenzene | [no description available] | medium | 1 | 0 | azobenzenes | |
4-(4-dimethylaminophenylazo)benzoic acid | [no description available] | medium | 1 | 0 | | |
methyltrimethoxysilane | [no description available] | medium | 1 | 0 | | |
8-hydroxyguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
clotrimazole | [no description available] | medium | 4 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
s-allylcysteine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
chlorodiphenyl (54% chlorine) | [no description available] | medium | 4 | 0 | | |
disilver oxide | [no description available] | medium | 2 | 0 | | |
tetraphenylborate | [no description available] | medium | 1 | 0 | | |
sodium tetrapropylborate | [no description available] | medium | 1 | 0 | | |
cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
8-oxyguanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine | |
4-chlorobenzoic acid | [no description available] | medium | 1 | 0 | monochlorobenzoic acid | bacterial xenobiotic metabolite |
thiophenol | [no description available] | medium | 1 | 0 | aryl thiol | |
rotenone | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
magnesium diboride | [no description available] | medium | 1 | 0 | | |
osmium | [no description available] | medium | 43 | 0 | iron group element atom; platinum group metal atom | |
methylazoxymethanol acetate | [no description available] | medium | 1 | 0 | azoxy compound | |
methylazoxymethanol | [no description available] | medium | 1 | 0 | azoxy compound | |
2,2'-(hydroxynitrosohydrazono)bis-ethanamine | [no description available] | medium | 1 | 0 | | |
dimethylglyoxime | [no description available] | medium | 1 | 0 | | |
taxifolin | [no description available] | medium | 1 | 0 | taxifolin | metabolite |
13-hydroxy-9,11-octadecadienoic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid | |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
cupric chloride | [no description available] | medium | 5 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
aminoethyl-aminopropyl-trimethoxysilane | [no description available] | medium | 1 | 0 | | |
tricalcium silicate | [no description available] | medium | 1 | 0 | | |
fenitrothion | [no description available] | medium | 2 | 0 | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
potassium cyanide | [no description available] | medium | 4 | 0 | cyanide salt; one-carbon compound; potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin |
boron oxide | [no description available] | medium | 3 | 0 | boron oxide | |
phosphorus pentoxide | [no description available] | medium | 3 | 0 | | |
germanium oxide | [no description available] | medium | 2 | 0 | | |
triphenylmethane | [no description available] | medium | 1 | 0 | triarylmethane | environmental contaminant; xenobiotic |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 1 | 0 | | |
2-methoxybenzoic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid | flavouring agent; non-steroidal anti-inflammatory drug |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
helium | [no description available] | medium | 7 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
neon | [no description available] | medium | 7 | 0 | monoatomic neon; noble gas atom; p-block element atom | |
3-toluic acid | [no description available] | medium | 1 | 0 | methylbenzoic acid | human xenobiotic metabolite |
sodium pyrophosphate | [no description available] | medium | 1 | 0 | inorganic sodium salt | chelator; food emulsifier; food thickening agent |
linoleic acid | [no description available] | medium | 2 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
delphinidin | [no description available] | medium | 5 | 0 | anthocyanidin chloride | |
pyridazine | [no description available] | medium | 1 | 0 | diazine; pyridazines | |
adenosine diphosphate ribose | [no description available] | medium | 2 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
acid blue 40 | [no description available] | medium | 1 | 0 | | |
malealdehyde | [no description available] | medium | 1 | 0 | but-2-enedial | |
2,2,4-trimethylpentane | [no description available] | medium | 2 | 0 | alkane; volatile organic compound | fuel additive; nephrotoxin; non-polar solvent |
octane | [no description available] | medium | 2 | 0 | alkane | xenobiotic |
coelenterazine | [no description available] | medium | 1 | 0 | | |
geldanamycin | [no description available] | medium | 1 | 0 | | |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
D-fructopyranose | [no description available] | medium | 7 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
diphenylamine | [no description available] | medium | 1 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
pyrogallol | [no description available] | medium | 2 | 0 | benzenetriol; phenolic donor | plant metabolite |
pyrogallol sulfonphthalein | [no description available] | medium | 2 | 0 | | |
6-phenyl-1,3,5-triazine-2,4-diamine | [no description available] | medium | 1 | 0 | | |
2,5-dihydroxybenzaldehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | human metabolite; mouse metabolite; Penicillium metabolite |
emepronium bromide | [no description available] | medium | 1 | 0 | | |
ammonium bicarbonate | [no description available] | medium | 1 | 0 | organooxygen compound | |
4-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
2-methylquinoline | [no description available] | medium | 1 | 0 | quinolines | |
4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
ginsenoside rd | [no description available] | medium | 1 | 0 | beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary |
tris-(1,10-phenanthroline)ruthenium | [no description available] | medium | 1 | 0 | | |
olivine | [no description available] | medium | 1 | 0 | | |
2,6-diaminopyridine | [no description available] | medium | 1 | 0 | | |
flavanone | [no description available] | medium | 1 | 0 | flavanones | |
flavone | [no description available] | medium | 1 | 0 | flavones | metabolite; nematicide |
fortunellin | [no description available] | medium | 1 | 0 | | |
linarin | [no description available] | medium | 1 | 0 | | |
muscimol | [no description available] | medium | 1 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
bicuculline | [no description available] | medium | 3 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | medium | 1 | 0 | nitrosamine; pyridines; secondary alcohol | biomarker; carcinogenic agent; human urinary metabolite |
fluoroboric acid | [no description available] | medium | 1 | 0 | boron fluoride | |
8-epi-prostaglandin f2alpha | [no description available] | medium | 2 | 0 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
dinoprost | [no description available] | medium | 4 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
sodium aluminate | [no description available] | medium | 1 | 0 | | |
morpholinopropane sulfonic acid | [no description available] | medium | 1 | 0 | MOPS; morpholines; organosulfonic acid | |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
lassbio-579 | [no description available] | medium | 1 | 0 | | |
gamma-tocopherol | [no description available] | medium | 1 | 0 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
natriuretic peptide, brain | [no description available] | medium | 1 | 0 | polypeptide | |
tris(2,2'-bipyridine)ruthenium iii | [no description available] | medium | 3 | 0 | | |
citrulline | [no description available] | medium | 3 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
hydrazinium | [no description available] | medium | 1 | 0 | nitrogen hydride | |
pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
cyproterone | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
methapyrilene | [no description available] | medium | 1 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
diethylnitrosamine | [no description available] | medium | 14 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
fursultiamin | [no description available] | medium | 1 | 1 | pyrimidines | |
4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
enclomiphene | [no description available] | medium | 1 | 0 | | |
trifluoroethene | [no description available] | medium | 1 | 0 | | |
potassium bromide | [no description available] | medium | 1 | 0 | potassium salt | |
eedq | [no description available] | medium | 2 | 0 | | |
sq-23377 | [no description available] | medium | 6 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
uridine | [no description available] | medium | 7 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
epibatidine | [no description available] | medium | 1 | 0 | | |
ifenprodil | [no description available] | medium | 2 | 0 | piperidines | |
ferric ferrocyanide | [no description available] | medium | 2 | 0 | | |
quinoxyfen | [no description available] | medium | 1 | 0 | aromatic ether; monofluorobenzenes; organochlorine compound; quinolines | antifungal agrochemical |
ro 31-8220 | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
hydroxyindoleacetic acid | [no description available] | medium | 16 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
organophosphonates | [no description available] | medium | 5 | 0 | divalent inorganic anion; phosphite ion | |
sodium pertechnetate tc 99m | [no description available] | medium | 2 | 0 | | |
guanosine triphosphate | [no description available] | medium | 8 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
kainic acid | [no description available] | medium | 5 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
quisqualic acid | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
bucladesine | [no description available] | medium | 10 | 0 | 3',5'-cyclic purine nucleotide | |
galactomannan | [no description available] | medium | 1 | 0 | oligosaccharide | |
nickel sulfate | [no description available] | medium | 4 | 0 | metal sulfate | allergen |
gadolinium chloride | [no description available] | medium | 1 | 0 | gadolinium coordination entity | TRP channel blocker |
meglumine antimoniate | [no description available] | medium | 1 | 0 | | |
meglumine | [no description available] | medium | 1 | 0 | hexosamine; secondary amino compound | |
tetrabutylammonium tetrafluoroborate | [no description available] | medium | 1 | 0 | | |
concanavalin a | [no description available] | medium | 15 | 0 | | |
rofecoxib | [no description available] | medium | 1 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
h 89 | [no description available] | medium | 1 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
praseodymium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
chloroprene | [no description available] | medium | 2 | 0 | chloroolefin | |
alizarin red s | [no description available] | medium | 1 | 0 | organic sodium salt; organosulfonate salt | histological dye |
aluminum phosphate | [no description available] | medium | 3 | 0 | | |
chrysene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene | plant metabolite |
ephedrine | [no description available] | medium | 1 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
tetrakis-mu-acetylsalicylato-dicopper(ii) | [no description available] | medium | 1 | 0 | | |
triethanolamine | [no description available] | medium | 1 | 0 | amino alcohol; tertiary amino compound; triol | buffer; surfactant |
1-propanol | [no description available] | medium | 4 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
aluminum fluoride | [no description available] | medium | 2 | 0 | aluminium coordination entity | |
verapamil | [no description available] | medium | 8 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
flunarizine | [no description available] | medium | 2 | 0 | diarylmethane | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
phenolsulfonphthalein | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
epicatechin gallate | [no description available] | medium | 1 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
gallocatechin-3-gallate | [no description available] | medium | 1 | 0 | catechin; gallate ester; polyphenol | plant metabolite |
zinc coproporphyrin iii | [no description available] | medium | 3 | 0 | | |
dithiol | [no description available] | medium | 2 | 0 | | |
1,4-dimethoxybenzene | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
acridines | [no description available] | medium | 6 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
amyl acetate | [no description available] | medium | 1 | 0 | acetate ester | metabolite |
n-pentanol | [no description available] | medium | 2 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
cyanates | [no description available] | medium | 3 | 0 | | |
dimethyl ether | [no description available] | medium | 1 | 0 | ether | |
diethylenetriamine | [no description available] | medium | 2 | 0 | polyazaalkane; triamine | |
triethyltin | [no description available] | medium | 4 | 0 | | |
acetoacetic acid | [no description available] | medium | 1 | 0 | 3-oxo fatty acid; ketone body | metabolite |
tetramethyllead | [no description available] | medium | 6 | 0 | organolead compound | |
chloroquine | [no description available] | medium | 3 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
nystatin a1 | [no description available] | medium | 1 | 0 | nystatins | |
bismuth oxychloride | [no description available] | medium | 1 | 0 | | |
peptones | [no description available] | medium | 2 | 0 | | |
aminopyrine | [no description available] | medium | 2 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
reserpine | [no description available] | medium | 1 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
promethazine | [no description available] | medium | 2 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
chlorpromazine | [no description available] | medium | 9 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
strychnine | [no description available] | medium | 6 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
estrone | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
neutral red | [no description available] | medium | 6 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
mandelic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
magnesium sulfate | [no description available] | medium | 3 | 0 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
perchloric acid | [no description available] | medium | 1 | 0 | chlorine oxoacid | |
rhenium | [no description available] | medium | 2 | 0 | manganese group element atom | |
ethionine | [no description available] | medium | 3 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
thioguanine anhydrous | [no description available] | medium | 4 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
methoxamine | [no description available] | medium | 2 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 4 | 0 | aromatic ether; secondary amino compound | metabolite |
hematoxylin | [no description available] | medium | 15 | 0 | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
triolein | [no description available] | medium | 2 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
dihydrotachysterol | [no description available] | medium | 6 | 0 | | |
hematein | [no description available] | medium | 1 | 0 | | |
cortisone | [no description available] | medium | 6 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
veratrole | [no description available] | medium | 2 | 0 | dimethoxybenzene | plant metabolite |
diethylstilbestrol | [no description available] | medium | 7 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
annetocin | [no description available] | medium | 1 | 0 | | |
22-hydroxycholesterol | [no description available] | medium | 2 | 0 | cholanoid | |
stigmasterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant metabolite |
gamma-sitosterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
hematoporphyrin | [no description available] | medium | 3 | 0 | | |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 10 | 0 | | |
anthraquinone sulfonate | [no description available] | medium | 1 | 0 | | |
trimethylamine | [no description available] | medium | 2 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
uroporphyrin i | [no description available] | medium | 1 | 0 | | |
amphetamine | [no description available] | medium | 12 | 0 | primary amine | |
methandrostenolone | [no description available] | medium | 2 | 0 | organic molecular entity | |
pk 11195 | [no description available] | medium | 2 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
dehydroepiandrosterone acetate | [no description available] | medium | 1 | 0 | steroid ester | |
taiwanin c | [no description available] | medium | 1 | 0 | benzodioxoles; furonaphthodioxole; lignan | antineoplastic agent; plant metabolite; platelet aggregation inhibitor |
palmitic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
1,3-dimethylthiourea | [no description available] | medium | 2 | 0 | | |
chelerythrine | [no description available] | medium | 2 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
isradipine | [no description available] | medium | 2 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
1,2-dibromo-3-chloropropane | [no description available] | medium | 4 | 0 | organochlorine compound | |
propane | [no description available] | medium | 4 | 0 | alkane; gas molecular entity | food propellant |
dipalmitoylphosphatidylserine | [no description available] | medium | 1 | 0 | phosphatidyl-L-serine | |
lead tungstate | [no description available] | medium | 1 | 0 | | |
maleimide | [no description available] | medium | 1 | 0 | dicarboximide; maleimides | EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
diethyl pyrocarbonate | [no description available] | medium | 2 | 0 | acyclic carboxylic anhydride | |
phenoxy radical | [no description available] | medium | 1 | 0 | organic radical | |
butylate | [no description available] | medium | 1 | 0 | tertiary amine | |
arsenopyrite | [no description available] | medium | 2 | 0 | | |
2-chlorophenol | [no description available] | medium | 1 | 0 | 2-halophenol; monochlorophenol | |
carbene | [no description available] | medium | 1 | 0 | carbene; methanediyl | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 2 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
glyceryl 2-arachidonate | [no description available] | medium | 1 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
apomorphine | [no description available] | medium | 9 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
sk&f-38393 | [no description available] | medium | 4 | 0 | benzazepine; catechols; secondary amino compound | |
technetium tc 99m medronate | [no description available] | medium | 1 | 0 | | |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | | |
nigericin | [no description available] | medium | 1 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
acetochlor | [no description available] | medium | 2 | 0 | aromatic amide; monocarboxylic acid amide; organochlorine compound | environmental contaminant; herbicide; xenobiotic |
sodium perchlorate | [no description available] | medium | 2 | 0 | inorganic sodium salt | |
mirex | [no description available] | medium | 2 | 0 | chlorocarbon; organochlorine insecticide | persistent organic pollutant |
4-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | insecticide |
laurdan | [no description available] | medium | 1 | 0 | | |
n-(3-pyrene)maleimide | [no description available] | medium | 1 | 0 | | |
cholecystokinin | [no description available] | medium | 2 | 0 | | |
fluorone black | [no description available] | medium | 1 | 0 | | |
cholic acid | [no description available] | medium | 2 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
glycocholic acid | [no description available] | medium | 3 | 0 | bile acid glycine conjugate | human metabolite |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | medium | 1 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
2-mercaptobenzimidazole | [no description available] | medium | 1 | 0 | | |
mercuric sulfate | [no description available] | medium | 1 | 0 | | |
cerium sulfate | [no description available] | medium | 1 | 0 | | |
5-dimethylaminonaphthalene-1-sulfonamide | [no description available] | medium | 1 | 0 | | |
calyculin a | [no description available] | medium | 1 | 0 | | |
chromic phosphate | [no description available] | medium | 1 | 0 | | |
thymic factor, circulating | [no description available] | medium | 1 | 0 | | |
sulfan blue | [no description available] | medium | 1 | 0 | organic molecular entity | |
diallyl glycol carbonate | [no description available] | medium | 3 | 0 | | |
skatole | [no description available] | medium | 1 | 0 | methylindole | human metabolite; mammalian metabolite |
3-methyleneindolenine | [no description available] | medium | 2 | 0 | indoles | metabolite |
phenylamil | [no description available] | medium | 1 | 0 | guanidines; pyrazines | |
bafilomycin a1 | [no description available] | medium | 2 | 0 | cyclic hemiketal; macrolide antibiotic; oxanes | apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin |
amiloride | [no description available] | medium | 2 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
reactive orange | [no description available] | medium | 1 | 0 | | |
nitroarginine | [no description available] | medium | 1 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
8-bromocyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
cadmium carbonate | [no description available] | medium | 1 | 0 | | |
phospho-l-arginine | [no description available] | medium | 1 | 0 | L-arginine derivative; non-proteinogenic L-alpha-amino acid; phosphagen; phosphoamino acid | animal metabolite |
carbofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
fluorine monoxide | [no description available] | medium | 1 | 0 | oxygen halide | |
magnesium nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; magnesium salt | fertilizer |
4-amino-5-hydrazino-1,2,4-triazole-3-thiol | [no description available] | medium | 1 | 0 | | |
1-phenyl-1,2-propanedione | [no description available] | medium | 1 | 0 | alpha-diketone; aromatic ketone | plant metabolite |
5,5'-bis(8-(phenylamino)-1-naphthalenesulfonate) | [no description available] | medium | 1 | 0 | | |
cholanic acid | [no description available] | medium | 1 | 0 | cholanic acids | |
cyclam | [no description available] | medium | 1 | 0 | azacycloalkane; crown amine; saturated organic heteromonocyclic parent | |
gallium phosphide | [no description available] | medium | 1 | 0 | | |
tetraborate | [no description available] | medium | 1 | 0 | | |
hydroxylamine | [no description available] | medium | 1 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
malonic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
gilvocarcin m | [no description available] | medium | 1 | 0 | | |
zinc fluoride | [no description available] | medium | 1 | 0 | | |
dianisidine | [no description available] | medium | 1 | 0 | biphenyls | |
2,4-diaminotoluene | [no description available] | medium | 1 | 0 | aminotoluene | metabolite |
diisononyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | plasticiser |
benzoylhydrazine | [no description available] | medium | 1 | 0 | carbohydrazide | |
1,2-diaminobenzene | [no description available] | medium | 1 | 0 | phenylenediamine | hydrogen donor |
capecitabine | [no description available] | medium | 1 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
uridine triphosphate | [no description available] | medium | 2 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
cytidine triphosphate | [no description available] | medium | 5 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
bis(tri-n-butyltin)oxide | [no description available] | medium | 1 | 0 | inorganic molecular entity | |
diazepam | [no description available] | medium | 4 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
bq 123 | [no description available] | medium | 1 | 0 | cyclic peptide | |
glycodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid glycine conjugate | human metabolite |
thymidine | [no description available] | medium | 27 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
simazine | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
homocystine | [no description available] | medium | 3 | 0 | amino acid zwitterion; homocystines | human metabolite |
phosphites | [no description available] | medium | 1 | 0 | phosphite ion; trivalent inorganic anion | |
ferrous fumarate | [no description available] | medium | 1 | 1 | dicarboxylic acid | |
n-(hydroxyethyl)ethylenediaminetriacetic acid | [no description available] | medium | 3 | 0 | | |
tris(2,2'-bipyridine)osmium(ii) | [no description available] | medium | 1 | 0 | | |
3-methoxytyramine | [no description available] | medium | 1 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
granite | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
sodium hypochlorite | [no description available] | medium | 1 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
levamisole | [no description available] | medium | 3 | 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 |
ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
abt 869 | [no description available] | medium | 1 | 0 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
indazoles | [no description available] | medium | 4 | 0 | indazole | |
clonidine | [no description available] | medium | 2 | 0 | clonidine; imidazoline | |
prazosin | [no description available] | medium | 3 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
yohimbine | [no description available] | medium | 2 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
argininamide | [no description available] | medium | 1 | 0 | amino acid amide; guanidines; L-arginine derivative | |
ferric pyrophosphate | [no description available] | medium | 1 | 1 | iron coordination entity | |
hypochlorous acid | [no description available] | medium | 1 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
thymolphthalein | [no description available] | medium | 2 | 0 | terpene lactone | |
thymol blue | [no description available] | medium | 1 | 0 | | |
5-hydroxyflavone | [no description available] | medium | 1 | 0 | flavones | |
3',4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
4-chlorocatechol | [no description available] | medium | 1 | 0 | chlorocatechol; monochlorobenzenes | bacterial xenobiotic metabolite |
gamma-glutamine-4-nitroanilide | [no description available] | medium | 1 | 0 | | |
tellurium dioxide | [no description available] | medium | 1 | 0 | | |
di-2-ethylhexyl sebacate | [no description available] | medium | 1 | 0 | | |
2-nitrophenyl octyl ether | [no description available] | medium | 1 | 0 | | |
cetylpyridinium | [no description available] | medium | 5 | 0 | pyridinium ion | |
1,3-cyclohexadiene | [no description available] | medium | 1 | 0 | cyclohexadiene | |
pteridines | [no description available] | medium | 6 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
pyridine-2,6-bis(thiocarboxylic acid) | [no description available] | medium | 1 | 0 | | |
2,3,5-triiodobenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound | antiauxins |
barium oxide | [no description available] | medium | 1 | 0 | | |
sulfosalicylic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone | [no description available] | medium | 1 | 0 | nitrosamine; pyridines | |
n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines; pyrrolidines | |
calcimycin | [no description available] | medium | 16 | 0 | benzoxazole | |
colchicine | [no description available] | medium | 6 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
methyl iodide | [no description available] | medium | 2 | 0 | iodomethanes; methyl halides | fumigant insecticide |
eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
deoxypyridinoline | [no description available] | medium | 2 | 1 | | |
phosphorus radioisotopes | [no description available] | medium | 10 | 0 | | |
demethoxycurcumin | [no description available] | medium | 1 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
cytidine | [no description available] | medium | 2 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allophanic acid | [no description available] | medium | 1 | 0 | ureas | |
2-nitrophenol | [no description available] | medium | 1 | 0 | 2-nitrophenols | |
lithium niobate | [no description available] | medium | 1 | 0 | | |
6-propylchromone-2-carboxylic acid | [no description available] | medium | 1 | 0 | | |
anthranilic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
dibenzo(1,4)dioxin | [no description available] | medium | 2 | 0 | dibenzodioxine; heteranthrene; mancude organic heterotricyclic parent; oxacycle; polycyclic heteroarene | |
perlite | [no description available] | medium | 1 | 0 | | |
potassium sulfate | [no description available] | medium | 1 | 0 | inorganic potassium salt; potassium salt | |
7-nitroindazole | [no description available] | medium | 3 | 0 | | |
kynurenic acid | [no description available] | medium | 6 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
7-chlorokynurenic acid | [no description available] | medium | 1 | 0 | organochlorine compound; quinolinemonocarboxylic acid | neuroprotective agent; NMDA receptor antagonist |
chromium nitrate | [no description available] | medium | 1 | 0 | chromium coordination entity; inorganic nitrate salt | |
silicon tetrafluoride | [no description available] | medium | 1 | 0 | | |
inositol | [no description available] | medium | 5 | 0 | cyclitol; hexol | |
4-xylene | [no description available] | medium | 1 | 0 | xylene | |
soda lime | [no description available] | medium | 1 | 0 | | |
cellobiose | [no description available] | medium | 1 | 0 | cellobiose | epitope |
1,5-diphenyl-2-penten-1-one | [no description available] | medium | 1 | 0 | | |
ethylene dimethacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
thiobarbituric acid | [no description available] | medium | 3 | 0 | barbiturates | allergen; reagent |
1-n-methyl-5-thiotetrazole | [no description available] | medium | 1 | 0 | | |
sorbitol | [no description available] | medium | 7 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
hederagenin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
phenyl ether | [no description available] | medium | 1 | 0 | aromatic ether | plant metabolite |
cdta | [no description available] | medium | 1 | 0 | organooxygen compound | |
octogen | [no description available] | medium | 1 | 0 | N-nitro compound; tetrazocane | explosive |
benzyltrimethylammonium | [no description available] | medium | 1 | 0 | | |
s-hydroxymethylglutathione | [no description available] | medium | 1 | 0 | S-substituted glutathione | Escherichia coli metabolite; mouse metabolite |
sodium titanate | [no description available] | medium | 1 | 0 | | |
alpha-aminopyridine | [no description available] | medium | 2 | 0 | | |
kinetin | [no description available] | medium | 2 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
purine | [no description available] | medium | 1 | 0 | purine | |
1h-imidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | imidazopyridine | |
hyaluronoglucosaminidase | [no description available] | medium | 3 | 0 | | |
2-aminoethoxydiphenyl borate | [no description available] | medium | 1 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
lithium perchlorate | [no description available] | medium | 1 | 0 | | |
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 |
2-amino-4-chlorophenol | [no description available] | medium | 1 | 0 | | |
zoxamide | [no description available] | medium | 1 | 0 | alpha-chloroketone; benzamides; dichlorobenzene | |
palladium chloride | [no description available] | medium | 1 | 0 | palladium coordination entity | catalyst |
cyclin d1 | [no description available] | medium | 1 | 0 | | |
carbonic acid | [no description available] | medium | 2 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
gallein | [no description available] | medium | 1 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorochrome; G-protein-coupled receptor antagonist; histological dye |
calcium phosphate, monobasic, anhydrous | [no description available] | medium | 4 | 0 | calcium phosphate | fertilizer |
2,3-epoxysuccinic acid | [no description available] | medium | 1 | 0 | | |
1-(2-thiazolylazo)-2-naphthol | [no description available] | medium | 1 | 0 | | |
n(alpha)-acetylfusarinines | [no description available] | medium | 1 | 0 | 2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol | siderophore |
fenton's reagent | [no description available] | medium | 2 | 0 | | |
beta-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
methoxyhydroxyphenylglycol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 10 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
homovanillic acid | [no description available] | medium | 7 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
normetanephrine | [no description available] | medium | 1 | 0 | catecholamine | |
3,3'-iminodipropionitrile | [no description available] | medium | 1 | 0 | | |
oxotremorine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
disulfiram | [no description available] | medium | 7 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
ouabain | [no description available] | medium | 41 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
nifedipine | [no description available] | medium | 4 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nitrendipine | [no description available] | medium | 6 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
sapropterin | [no description available] | medium | 4 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
dactinomycin | [no description available] | medium | 16 | 0 | actinomycin | mutagen |
thalidomide | [no description available] | medium | 3 | 0 | phthalimides; piperidones | |
puromycin | [no description available] | medium | 5 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
demecolcine | [no description available] | medium | 1 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
guanylyl imidodiphosphate | [no description available] | medium | 5 | 0 | nucleoside triphosphate analogue | |
thiamine pyrophosphate | [no description available] | medium | 8 | 0 | organic chloride salt; vitamin B1 | |
inosine | [no description available] | medium | 2 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adenylyl imidodiphosphate | [no description available] | medium | 8 | 0 | adenosine 5'-phosphate | |
nile blue | [no description available] | medium | 1 | 0 | | |
prednisolone | [no description available] | medium | 2 | 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 |
5,7-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
sodium glutamate | [no description available] | medium | 2 | 0 | monosodium glutamate | flavouring agent |
tilorone | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
tetraethyltin | [no description available] | medium | 1 | 0 | | |
chlordecone | [no description available] | medium | 3 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
enkephalin, methionine | [no description available] | medium | 2 | 0 | | |
substance p | [no description available] | medium | 1 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
beta-endorphin | [no description available] | medium | 2 | 0 | | |
clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
chloral hydrate | [no description available] | medium | 2 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
clioquinol | [no description available] | medium | 2 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
tromethamine | [no description available] | medium | 7 | 0 | primary amino compound; triol | buffer |
3-iodo-alpha-methyltyrosine | [no description available] | medium | 1 | 0 | | |
guanosine 5'-phosphoimidazolide | [no description available] | medium | 4 | 0 | | |
guanosine monophosphate | [no description available] | medium | 6 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
deoxyglucose | [no description available] | medium | 2 | 0 | | |
saccharin | [no description available] | medium | 4 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
promethium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
dinoseb | [no description available] | medium | 1 | 0 | dinitrophenol | |
2,4-dinitrophenol | [no description available] | medium | 2 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
3-methylcholanthrene | [no description available] | medium | 7 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
dibutyryl cyclic gmp | [no description available] | medium | 1 | 0 | | |
gpgp | [no description available] | medium | 1 | 0 | | |
propranolol | [no description available] | medium | 4 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
trifluoperazine | [no description available] | medium | 3 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
dextroamphetamine | [no description available] | medium | 18 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
spiperone | [no description available] | medium | 4 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
3,3'-diaminobenzidine | [no description available] | medium | 6 | 0 | biphenyls; substituted aniline | histological dye |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mammalian metabolite; probe |
tris(2,3-dibromopropyl)phosphate | [no description available] | medium | 1 | 0 | trialkyl phosphate | |
urea formaldehyde foam | [no description available] | medium | 1 | 0 | | |
sodium azide | [no description available] | medium | 2 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
sodium cyanide | [no description available] | medium | 1 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
phosphoenolpyruvate | [no description available] | medium | 2 | 0 | carboxyalkyl phosphate; monocarboxylic acid | fundamental metabolite |
picryl chloride | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
dithioerythritol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol | reducing agent |
stibine | [no description available] | medium | 1 | 0 | antimony hydride; mononuclear parent hydride | |
arsine | [no description available] | medium | 1 | 0 | arsanes; arsine; mononuclear parent hydride | |
razoxane | [no description available] | medium | 1 | 0 | N-alkylpiperazine | |
phosphorylethanolamine | [no description available] | medium | 1 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
n-ethyl-n-hydroxyethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 1 | 0 | pyrrolidines | |
2-aminoisobutyric acid | [no description available] | medium | 1 | 0 | 2,2-dialkylglycine zwitterion; 2,2-dialkylglycine | |
dimethylnitrosamine | [no description available] | medium | 8 | 0 | nitrosamine | geroprotector; mutagen |
calcium phosphate, dibasic, anhydrous | [no description available] | medium | 3 | 0 | calcium phosphate | |
calcium pyrophosphate | [no description available] | medium | 3 | 0 | | |
isosorbide | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenytoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
hippuric acid | [no description available] | medium | 4 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
enkephalin, leucine | [no description available] | medium | 3 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
lead azide | [no description available] | medium | 8 | 0 | | |
n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; tertiary amine | |
pyridoxine | [no description available] | medium | 4 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
antipyrine | [no description available] | medium | 7 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
cromolyn sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
i(3)so3-galactosylceramide | [no description available] | medium | 8 | 0 | galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine | |
4,4'-ethylenebis(1-methyl-2,6-piperazinedione) | [no description available] | medium | 1 | 0 | | |
triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
methyl isobutyl ketone | [no description available] | medium | 3 | 0 | ketone | |
methyl n-butyl ketone | [no description available] | medium | 4 | 0 | ketone | |
hexobarbital | [no description available] | medium | 5 | 0 | barbiturates | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
3,4,3',4'-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
hydroxyproline | [no description available] | medium | 4 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
allylisopropylacetamide | [no description available] | medium | 3 | 0 | | |
n2 dental cement | [no description available] | medium | 2 | 0 | | |
oligomycins | [no description available] | medium | 5 | 0 | | |
taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
lucifer yellow | [no description available] | medium | 2 | 0 | organic lithium salt | fluorochrome |
3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
2'-5'-oligoadenylate trimer | [no description available] | medium | 2 | 0 | | |
succinyl-trialanine-4-nitroanilide | [no description available] | medium | 2 | 0 | | |
trityl chloride | [no description available] | medium | 1 | 0 | | |
hypnorm | [no description available] | medium | 1 | 0 | | |
fentanyl | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
ostalloy | [no description available] | medium | 2 | 0 | | |
succinylacetone | [no description available] | medium | 1 | 0 | beta-diketone; dioxo monocarboxylic acid | human metabolite |
mercaptopurine | [no description available] | medium | 5 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
lucanthone hydrochloride | [no description available] | medium | 1 | 0 | | |
niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
phosphocreatine | [no description available] | medium | 2 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
ceruletide | [no description available] | medium | 1 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
propoxur | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
gallopamil | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
neostigmine | [no description available] | medium | 3 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
physostigmine | [no description available] | medium | 9 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
pentobarbital | [no description available] | medium | 5 | 0 | barbiturates | GABAA receptor agonist |
phenethylamine | [no description available] | medium | 1 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
bromotriethylstannane | [no description available] | medium | 1 | 0 | | |
metoclopramide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
ethylmaleimide | [no description available] | medium | 13 | 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 |
cresol red | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; polyphenol; sultone | acid-base indicator; dye; two-colour indicator |
guanosine diphosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
dithionitrobenzoic acid | [no description available] | medium | 5 | 0 | nitrobenzoic acid; organic disulfide | indicator |
deoxycholic acid | [no description available] | medium | 5 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
dicyclohexylcarbodiimide | [no description available] | medium | 1 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
iodoacetamide | [no description available] | medium | 2 | 0 | | |
nadp | [no description available] | medium | 6 | 0 | | |
sodium molybdate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | poison |
dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
1-methyl-3-isobutylxanthine | [no description available] | medium | 3 | 0 | 3-isobutyl-1-methylxanthine | |
dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide | [no description available] | medium | 1 | 0 | | |
24,25-dihydroxyvitamin d 3 | [no description available] | medium | 2 | 0 | | |
ponceau s | [no description available] | medium | 1 | 0 | organic sodium salt; organosulfonate salt | fluorochrome; histological dye |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
framycetin | [no description available] | medium | 4 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
cholestyramine resin | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 3 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
omega-agatoxin iva | [no description available] | medium | 1 | 0 | | |
2-amino-5-phosphonovalerate | [no description available] | medium | 5 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
hemicholinium 3 | [no description available] | medium | 1 | 0 | | |
deoxyguanosine triphosphate | [no description available] | medium | 1 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
clofibric acid | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
ciprofibrate | [no description available] | medium | 2 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
maleic hydrazide | [no description available] | medium | 1 | 0 | pyridazinone | |
triethylenemelamine | [no description available] | medium | 2 | 0 | 1,3,5-triazines | alkylating agent; insect sterilant |
anticodon | [no description available] | medium | 3 | 0 | | |
lithium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
quinpirole | [no description available] | medium | 4 | 0 | pyrazoloquinoline | dopamine agonist |
ergoline | [no description available] | medium | 2 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
chloroform | [no description available] | medium | 7 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
thallium sulfate | [no description available] | medium | 1 | 0 | metal sulfate; thallium molecular entity | insecticide; rodenticide |
inositol 1,4,5-trisphosphate | [no description available] | medium | 6 | 0 | myo-inositol trisphosphate | mouse metabolite |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate | |
colforsin | [no description available] | medium | 3 | 0 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
methionine sulfoximine | [no description available] | medium | 2 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
sulfaquinoxaline | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
afdx 384 | [no description available] | medium | 1 | 0 | | |
bis(trifluoroethyl)carbamodithioic acid | [no description available] | medium | 1 | 0 | | |
2-acetylaminofluorene | [no description available] | medium | 3 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
atrial natriuretic factor | [no description available] | medium | 2 | 0 | polypeptide | |
thallium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; thallium molecular entity | |
methylmethacrylate | [no description available] | medium | 5 | 0 | enoate ester; methyl ester | allergen; polymerisation monomer |
orotic acid | [no description available] | medium | 4 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
maitotoxin | [no description available] | medium | 1 | 0 | | |
phosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 2 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
naloxone | [no description available] | medium | 4 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
hepes | [no description available] | medium | 2 | 0 | HEPES; organosulfonic acid | |
t-2 toxin | [no description available] | medium | 1 | 0 | | |
calmidazolium | [no description available] | medium | 2 | 0 | imidazolium ion | apoptosis inducer; calmodulin antagonist |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 4 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
endrin | [no description available] | medium | 1 | 0 | | |
5,5'-difluoro-1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 5 | 0 | | |
ethyl maltol | [no description available] | medium | 1 | 0 | pyranone | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 8 | 0 | stilbenoid | |
picrotoxin | [no description available] | medium | 2 | 0 | | |
sodium borate | [no description available] | medium | 1 | 0 | | |
clofenapate | [no description available] | medium | 1 | 0 | | |
cyproterone acetate | [no description available] | medium | 4 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
nafenopin | [no description available] | medium | 5 | 0 | aromatic ether; monocarboxylic acid | |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
gtp gamma-4-azidoanilide | [no description available] | medium | 1 | 0 | | |
nitroblue tetrazolium | [no description available] | medium | 2 | 0 | organic cation | |
e 3330 | [no description available] | medium | 1 | 0 | | |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
n-acetylneuraminic acid | [no description available] | medium | 5 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
cresyl violet | [no description available] | medium | 1 | 0 | | |
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide | [no description available] | medium | 1 | 0 | carbodiimide; morpholines | cross-linking reagent |
kethoxal | [no description available] | medium | 1 | 0 | aldehyde hydrate; butanone | antiinfective agent |
cme-carbodiimide | [no description available] | medium | 1 | 0 | | |
n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
mannitol | [no description available] | medium | 5 | 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 |
cobalt mesoporphyrin | [no description available] | medium | 1 | 0 | | |
w 7 | [no description available] | medium | 2 | 0 | | |
2,6-dichloroindophenol | [no description available] | medium | 1 | 0 | dichlorobenzene; quinone imine | |
diltiazem | [no description available] | medium | 2 | 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 |
cholesteryl succinate | [no description available] | medium | 1 | 0 | cholestane ester; dicarboxylic acid monoester; hemisuccinate | detergent |
pindolol | [no description available] | medium | 2 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
leucogentian violet | [no description available] | medium | 1 | 0 | benzenoid aromatic compound | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
anthroylouabain | [no description available] | medium | 1 | 0 | | |
methyllycaconitine | [no description available] | medium | 1 | 0 | | |
aconitine | [no description available] | medium | 1 | 0 | | |
trimethyltin | [no description available] | medium | 3 | 0 | | |
methyl 4-aminobenzoate | [no description available] | medium | 1 | 0 | | |
benzyl 2-naphthyl ether | [no description available] | medium | 1 | 0 | | |
5-aminoisophthalic acid | [no description available] | medium | 1 | 0 | | |
5-hydroxyisophthalic acid | [no description available] | medium | 1 | 0 | | |
3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
procaine | [no description available] | medium | 2 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
p-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
3-methoxy-4-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
flupirtine | [no description available] | medium | 1 | 0 | aminopyridine | |
dysprosium dtpa | [no description available] | medium | 1 | 0 | | |
ytterbium dtpa | [no description available] | medium | 1 | 0 | | |
sk&f 82958 | [no description available] | medium | 4 | 0 | benzazepine | |
2,2'-dipyridyl disulfide | [no description available] | medium | 1 | 0 | organic disulfide; pyridines | oxidising agent |
diacetyldichlorofluorescein | [no description available] | medium | 1 | 0 | | |
algestone | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; C21-steroid; tertiary alpha-hydroxy ketone | progestin |
deoxyuridine triphosphate | [no description available] | medium | 1 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite |
hypoxanthine | [no description available] | medium | 1 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
glucosamine | [no description available] | medium | 5 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
indo-1 | [no description available] | medium | 2 | 0 | indoles | fluorochrome |
hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
hopane | [no description available] | medium | 1 | 0 | terpenoid fundamental parent; triterpene | |
tuberactinomycin | [no description available] | medium | 1 | 0 | | |
viomycin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
2,5-hexanedione | [no description available] | medium | 1 | 0 | diketone; methyl ketone | human xenobiotic metabolite; neurotoxin |
methylformamide | [no description available] | medium | 1 | 0 | formamides | |
patulin | [no description available] | medium | 1 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
methyl cellosolve | [no description available] | medium | 4 | 0 | glycol ether | protic solvent; solvent |
bromocriptine | [no description available] | medium | 3 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
o-phthalaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; dialdehyde | epitope |
ucn 1028 c | [no description available] | medium | 2 | 0 | | |
adenosine-3',5'-cyclic phosphorothioate | [no description available] | medium | 1 | 0 | nucleoside 3',5'-cyclic phosphorothioate | |
ethylnitrosourea | [no description available] | medium | 2 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
u 74389f | [no description available] | medium | 1 | 0 | | |
4-aminopyridine | [no description available] | medium | 2 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
n-benzylglucamine dithiocarbamate | [no description available] | medium | 1 | 0 | | |
n-(4-methoxybenzyl)glucamine dithiocarbamate | [no description available] | medium | 1 | 0 | | |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 5 | 0 | quinoxaline derivative | |
cgp 39653 | [no description available] | medium | 1 | 0 | | |
dihydrostreptomycin sulfate | [no description available] | medium | 1 | 0 | | |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
bluensomycin | [no description available] | medium | 1 | 0 | amino sugar | |
calcium citrate | [no description available] | medium | 1 | 0 | organic calcium salt | flavouring agent; food additive; food preservative; nutraceutical |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
nicotinic acid adenine dinucleotide | [no description available] | medium | 1 | 0 | nicotinic acid dinucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
zinquin | [no description available] | medium | 1 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
fura-2-am | [no description available] | medium | 1 | 0 | | |
methyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
thymosin beta(4) | [no description available] | medium | 1 | 0 | | |
thymosin | [no description available] | medium | 1 | 0 | | |
3-amino-9-ethylcarbazole | [no description available] | medium | 1 | 0 | carbazoles | |
pentane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
isopentyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite |
pentachlorophenol | [no description available] | medium | 4 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
glyceraldehyde 3-phosphate dehydrogenase (304-313) | [no description available] | medium | 1 | 0 | | |
chloranilic acid | [no description available] | medium | 1 | 0 | | |
tetracyanoquinodimethane | [no description available] | medium | 1 | 0 | alicyclic compound; nitrile; quinodimethane | |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
cephalosporin c | [no description available] | medium | 1 | 0 | cephalosporin | fungal metabolite |
terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 2 | 0 | N-substituted diamine; pyridines; tertiary amino compound | apoptosis inducer; chelator; copper chelator |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
cetiedil | [no description available] | medium | 1 | 0 | azepanes | |
quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
acetone cyanohydrin | [no description available] | medium | 1 | 0 | cyanohydrin | |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 1 | 0 | monoazo compound | |
2,2'-azobis(2,4-dimethylvaleronitrile) | [no description available] | medium | 1 | 0 | | |
bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
phorbol 12,13-dibutyrate | [no description available] | medium | 2 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
sulpiride | [no description available] | medium | 2 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
sch 23982 | [no description available] | medium | 1 | 0 | | |
paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
bekanamycin | [no description available] | medium | 1 | 0 | kanamycins | |
hoe 33342 | [no description available] | medium | 1 | 0 | | |
p-chloromercuribenzoic acid | [no description available] | medium | 3 | 0 | chlorine molecular entity; mercuribenzoic acid | |
methyldimethylaminoazobenzene | [no description available] | medium | 1 | 0 | | |
imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
eticlopride | [no description available] | medium | 2 | 0 | salicylamides | |
sodium tetraethylborate | [no description available] | medium | 2 | 0 | | |
retrorsine | [no description available] | medium | 1 | 0 | macrolide | |
nile red | [no description available] | medium | 1 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
ubiquinol | [no description available] | medium | 1 | 0 | polyprenylhydroquinone; ubiquinol | biomarker; metabolite |
mm 706 | [no description available] | medium | 1 | 0 | | |
cyanogen bromide | [no description available] | medium | 1 | 0 | | |
technetium tc 99m sestamibi | [no description available] | medium | 1 | 0 | | |
whitlockite | [no description available] | medium | 1 | 0 | | |
mancozeb | [no description available] | medium | 1 | 0 | | |
lactulose | [no description available] | medium | 1 | 0 | | |
sarin | [no description available] | medium | 2 | 0 | fluorine molecular entity; phosphinic ester | |
mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
cytidine monophosphate | [no description available] | medium | 2 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
thymidine monophosphate | [no description available] | medium | 1 | 0 | thymidine 5'-monophosphate | fundamental metabolite |
monobromobimane | [no description available] | medium | 1 | 0 | organobromine compound; pyrazolopyrazole | fluorochrome |
linuron | [no description available] | medium | 1 | 0 | dichlorobenzene; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
cycloxydim | [no description available] | medium | 1 | 0 | | |
fluazifop-butyl | [no description available] | medium | 1 | 0 | aromatic ether; carboxylic ester; organofluorine compound; pyridines | |
benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
dodecylsulfonic acid | [no description available] | medium | 1 | 0 | organosulfonic acid | |
dodecyltrimethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
quin2 | [no description available] | medium | 1 | 0 | | |
gentamicin | [no description available] | medium | 2 | 0 | | |
gentamicin c | [no description available] | medium | 1 | 0 | | |
methimazole | [no description available] | medium | 2 | 1 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
ilmenite | [no description available] | medium | 1 | 0 | | |
2,3-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite; plant metabolite |
4,4'-dichlorobenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
phosphoglycolate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite; mouse metabolite |
bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
fenfluramine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
phentermine | [no description available] | medium | 2 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
nimodipine | [no description available] | medium | 2 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
vitamin k semiquinone radical | [no description available] | medium | 6 | 0 | | |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
inosinic acid | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
digalactosyldiacylglycerol | [no description available] | medium | 1 | 0 | | |
pregnenolone | [no description available] | medium | 4 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
nitroglycerin | [no description available] | medium | 3 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
3,5-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
1,3-butadiene | [no description available] | medium | 1 | 0 | butadiene | carcinogenic agent; mutagen |
oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
galactocerebroside | [no description available] | medium | 1 | 0 | | |
myelopeptide 1 | [no description available] | medium | 1 | 0 | | |
zearalenone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
dihydroxyacetone | [no description available] | medium | 1 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
guanosine 5'-phospho-2-methylimidazolide | [no description available] | medium | 1 | 0 | | |
n-methylwelwitindolinone c isothiocyanate | [no description available] | medium | 1 | 0 | | |
glucopyranosylamine | [no description available] | medium | 1 | 0 | | |
gamma-glutamylcysteine | [no description available] | medium | 1 | 0 | gamma-glutamylcysteine | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
aconitic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
pyridostigmine bromide | [no description available] | medium | 1 | 0 | pyridinium salt | |
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 |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
phorbol-12,13-didecanoate | [no description available] | medium | 1 | 0 | | |
lanthanide nitrate | [no description available] | medium | 1 | 0 | | |
adenosine 5'-phosphorothioate | [no description available] | medium | 1 | 0 | | |
digoxigenin | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
adrenochrome | [no description available] | medium | 1 | 0 | indoles | |
bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
zephiramine | [no description available] | medium | 1 | 0 | | |
sodium arsenite | [no description available] | medium | 5 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
isethionic acid | [no description available] | medium | 1 | 0 | alkanesulfonic acid | human metabolite |
allantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
metyrapone | [no description available] | medium | 3 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
acriflavine | [no description available] | medium | 2 | 0 | | |
paraldehyde | [no description available] | medium | 1 | 0 | trioxane | sedative |
uridine diphosphate glucose | [no description available] | medium | 1 | 0 | UDP-D-glucose | fundamental metabolite |
trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
phenylbutazone | [no description available] | medium | 3 | 0 | pyrazolidines | antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
p-aminohippuric acid | [no description available] | medium | 2 | 0 | N-acylglycine | Daphnia magna metabolite |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
cycasin | [no description available] | medium | 1 | 0 | | |
teprotide | [no description available] | medium | 1 | 0 | peptide | |
chlorphentermine | [no description available] | medium | 1 | 0 | amphetamines | |
4-nitrophenylphosphate | [no description available] | medium | 1 | 0 | aryl phosphate | mouse metabolite |
terics | [no description available] | medium | 1 | 0 | | |
4-nitroquinoline-1-oxide | [no description available] | medium | 2 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
pyrimethamine | [no description available] | medium | 1 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
4-hydroxyaminoquinoline-1-oxide | [no description available] | medium | 1 | 0 | | |
zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
phenprocoumon | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
glycylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
alloxan | [no description available] | medium | 1 | 0 | pyrimidone | hyperglycemic agent; metabolite |
furosemide | [no description available] | medium | 36 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
xylitol | [no description available] | medium | 2 | 0 | | |
thorium dioxide | [no description available] | medium | 19 | 0 | thorium molecular entity | |
fluocinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
sulfobromophthalein | [no description available] | medium | 2 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
2,4,5-trichlorophenoxyacetic acid | [no description available] | medium | 2 | 0 | chlorophenoxyacetic acid; trichlorobenzene | defoliant; phenoxy herbicide; synthetic auxin |
bis(chloromethyl) ether | [no description available] | medium | 1 | 0 | ether; organochlorine compound | alkylating agent; carcinogenic agent |
hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
mersalyl | [no description available] | medium | 2 | 0 | | |
fibrin | [no description available] | medium | 5 | 0 | peptide | |
sorbose | [no description available] | medium | 1 | 0 | L-sorbose; sorbopyranose | |
xylose | [no description available] | medium | 2 | 0 | D-xylose | |
penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
selenomethionine | [no description available] | medium | 1 | 0 | selenoamino acid; selenomethionines | plant metabolite |
methylprednisolone | [no description available] | medium | 4 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
xenon radioisotopes | [no description available] | medium | 1 | 0 | | |
uridine diphosphate galactose | [no description available] | medium | 1 | 0 | UDP-D-galactose | mouse metabolite |
deanol | [no description available] | medium | 1 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
triaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
isoflurophate | [no description available] | medium | 8 | 0 | dialkyl phosphate | |
urethane | [no description available] | medium | 2 | 0 | carbamate ester | fungal metabolite; mutagen |
cobalt sulfate | [no description available] | medium | 1 | 0 | metal sulfate | |
aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent; cardiotonic drug |
uroporphyrinogen iii | [no description available] | medium | 2 | 0 | uroporphyrinogen | Escherichia coli metabolite; mouse metabolite |
fat red 7b | [no description available] | medium | 1 | 1 | | |
epidermal growth factor | [no description available] | medium | 2 | 0 | | |
aroclor 1016 | [no description available] | medium | 1 | 0 | | |
kc 400 | [no description available] | medium | 3 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
3-aminoisobutyric acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; beta-amino acid | metabolite |
dinitrochlorobenzene | [no description available] | medium | 4 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
dimethyl mercaptosuccinate | [no description available] | medium | 2 | 0 | | |
omega-conotoxin (conus magus) | [no description available] | medium | 1 | 0 | | |
leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
epsilon-(gamma-glutamyl)-lysine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; N(6)-acyl-L-lysine | |
cryptating agent 222 | [no description available] | medium | 1 | 0 | | |
cryptating agent 221 | [no description available] | medium | 1 | 0 | | |
dichlorvos | [no description available] | medium | 1 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
n(6)-benzoyl-cyclic amp | [no description available] | medium | 1 | 0 | | |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
bay-k-8644 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
dihydropyridines | [no description available] | medium | 1 | 0 | | |
ethoxyquin | [no description available] | medium | 1 | 0 | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
nitrogenase | [no description available] | medium | 2 | 0 | | |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
digitonin | [no description available] | medium | 1 | 0 | | |
rubidium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; rubidium molecular entity | antidepressant; biomarker |
5-methyldeoxycytidine | [no description available] | medium | 1 | 0 | 2'-deoxycytidine | |
sodium iodide | [no description available] | medium | 1 | 0 | inorganic sodium salt; iodide salt | |
phentolamine | [no description available] | medium | 2 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
methysergide | [no description available] | medium | 2 | 0 | ergoline alkaloid | |
naproxen | [no description available] | medium | 1 | 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 |
oxytocin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound; phenyl acetates | |
diethyl maleate | [no description available] | medium | 2 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
dibucaine | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
iduronate | [no description available] | medium | 1 | 0 | idopyranuronic acid; L-iduronic acid | |
silicate cement | [no description available] | medium | 1 | 0 | | |
2-thiomalic acid | [no description available] | medium | 1 | 0 | C4-dicarboxylic acid | |
2,6-di-tert-butyl-4-methylene-2,5-cyclohexadienone | [no description available] | medium | 1 | 0 | | |
sodium hypophosphite | [no description available] | medium | 1 | 0 | | |
acetylacetone | [no description available] | medium | 1 | 0 | beta-diketone | |
chlorpropamide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
fructose-1,6-diphosphate | [no description available] | medium | 1 | 0 | | |
dihydroxyacetone phosphate | [no description available] | medium | 1 | 0 | glycerone phosphates; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
heptachlor epoxide | [no description available] | medium | 1 | 0 | oxanes | |
probenecid | [no description available] | medium | 2 | 0 | benzoic acids; sulfonamide | uricosuric drug |
harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
tolonium chloride | [no description available] | medium | 1 | 0 | | |
ethacrynic acid | [no description available] | medium | 2 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide | [no description available] | medium | 1 | 0 | epoxide | intercalator |
glucaric acid | [no description available] | medium | 1 | 0 | glucaric acid | antineoplastic agent |
calcium chromate(vi) | [no description available] | medium | 2 | 0 | | |
ethylene glycol dinitrate | [no description available] | medium | 1 | 0 | | |
plutonium dioxide | [no description available] | medium | 1 | 0 | | |
2-mercapto-3-furan-2-ylpropenoic acid | [no description available] | medium | 1 | 0 | | |
phosphoserine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
heptenophos | [no description available] | medium | 1 | 0 | organochlorine compound; organophosphate insecticide; trialkyl phosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
adeturon | [no description available] | medium | 1 | 0 | | |
beta-aminoethyl isothiourea | [no description available] | medium | 1 | 0 | | |
bromphenol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone | acid-base indicator; dye; two-colour indicator |
bethanechol | [no description available] | medium | 1 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
hexachlorophene | [no description available] | medium | 2 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
lysergic acid diethylamide | [no description available] | medium | 1 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
agent orange | [no description available] | medium | 1 | 0 | | |
cdp ethanolamine | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphoethanolamine | mouse metabolite |
cytidine diphosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
angiotensin i | [no description available] | medium | 1 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
3-aminocyclohexanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
theophylline | [no description available] | medium | 2 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
papaverine | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
cyclazocine | [no description available] | medium | 1 | 0 | | |
ethylketocyclazocine | [no description available] | medium | 1 | 0 | | |
ketazocine | [no description available] | medium | 1 | 0 | | |
thorium x | [no description available] | medium | 1 | 0 | | |
n-methyl-d-glucamine dithiocarbamate | [no description available] | medium | 1 | 0 | | |
phloretin | [no description available] | medium | 1 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
dihydro-dids | [no description available] | medium | 2 | 0 | | |
erythrosine | [no description available] | medium | 1 | 0 | | |
lanthanum chloride | [no description available] | medium | 1 | 0 | | |
mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
ethylmercuric chloride | [no description available] | medium | 2 | 0 | chlorine molecular entity; organomercury compound | fungicide |
4-aminophenylmercuriacetate | [no description available] | medium | 1 | 0 | | |
phenylmercuric acetate | [no description available] | medium | 1 | 0 | arylmercury compound; benzenes | |
zinc hematoporphyrin | [no description available] | medium | 2 | 0 | | |
dinitrofluorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
2,3-piperidinedicarboxylic acid | [no description available] | medium | 1 | 0 | | |
wye | [no description available] | medium | 1 | 0 | | |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
2-(n,n-dimethylamino)-6,7-dihydroxytetralin | [no description available] | medium | 1 | 0 | | |
iodoacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
tetrathionic acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | |
ibotenic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
2-ethoxyethanol | [no description available] | medium | 2 | 0 | glycol ether; primary alcohol | protic solvent; teratogenic agent |
aziridine | [no description available] | medium | 1 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
5-hydroxyindole | [no description available] | medium | 1 | 0 | hydroxyindoles | human metabolite |
neozone | [no description available] | medium | 1 | 0 | naphthalenes | |
gossypol | [no description available] | medium | 1 | 0 | | |
arsenic trisulfide | [no description available] | medium | 1 | 0 | | |
diphenylhexatriene | [no description available] | medium | 1 | 0 | alkatriene | fluorochrome |
tubocurarine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
nialamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
cyclohexene oxide | [no description available] | medium | 1 | 0 | | |
chlorates | [no description available] | medium | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
chondroitin | [no description available] | medium | 3 | 0 | | |
dermatan sulfate | [no description available] | medium | 1 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
amaranth dye | [no description available] | medium | 1 | 0 | | |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
bis(p-chlorophenyl)acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; monochlorobenzenes | |
beryllium oxide | [no description available] | medium | 1 | 0 | beryllium molecular entity; metal oxide | carcinogenic agent |
meperidine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
antimycin a | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
crotoxyphos | [no description available] | medium | 1 | 0 | carboxylic ester | |
aphos | [no description available] | medium | 1 | 0 | | |
ethylurea | [no description available] | medium | 1 | 0 | | |
cadmium metallothionein | [no description available] | medium | 1 | 0 | | |
nitrosoguanidines | [no description available] | medium | 1 | 0 | | |
hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
cyclamic acid | [no description available] | medium | 1 | 0 | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
triethylenephosphoramide | [no description available] | medium | 1 | 0 | phosphoramide | |
acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
17-alpha-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
methotrexate | [no description available] | medium | 2 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
croton oil | [no description available] | medium | 1 | 0 | N-acyl-hexosamine | |
dibenzylchlorethamine | [no description available] | medium | 1 | 0 | | |
phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
sodium salicylate | [no description available] | medium | 2 | 0 | organic molecular entity | |
cyproheptadine | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
triamcinolone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
trichloroacetic acid | [no description available] | medium | 3 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
primaquine | [no description available] | medium | 1 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
succinylcholine | [no description available] | medium | 1 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
orphenadrine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
heptachlor | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | agrochemical; antibacterial agent; antifungal agent; GABA-gated chloride channel antagonist; persistent organic pollutant |
parathion | [no description available] | medium | 3 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
enmein | [no description available] | medium | 1 | 0 | delta-lactone | metabolite |
bromates | [no description available] | medium | 1 | 0 | bromine oxoanion; monovalent inorganic anion | |
valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
ethyl chloride | [no description available] | medium | 1 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
iproniazid | [no description available] | medium | 1 | 0 | carbohydrazide; pyridines | |
amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
diphenhydramine | [no description available] | medium | 1 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
spironolactone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
vanilmandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
medroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
indophenol | [no description available] | medium | 1 | 0 | quinone imine | dye |
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 |
diazooxonorleucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
glutaminase | [no description available] | medium | 1 | 0 | | |
hydantoins | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
octadecyl palmitate | [no description available] | medium | 1 | 0 | hexadecanoate ester; wax ester | coral metabolite; cosmetic |
farnesol | [no description available] | medium | 1 | 0 | farnesol | plant metabolite |
glyceraldehyde | [no description available] | medium | 1 | 0 | aldotriose | fundamental metabolite |
phosgene | [no description available] | medium | 1 | 0 | acyl chloride | |
xanthopterin | [no description available] | medium | 1 | 0 | | |
isocarboxazid | [no description available] | medium | 1 | 0 | benzenes | |
trazodone hydrochloride | [no description available] | medium | 169 | 1 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
exudates | [no description available] | medium | 55 | 0 | | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 7 | 0 | tertiary amine | |
cinidon-ethyl | [no description available] | medium | 2 | 0 | ethyl ester; isoindoles; monochlorobenzenes | herbicide |
inositol 3-phosphate | [no description available] | medium | 8 | 0 | | |
humulene | [no description available] | medium | 11 | 0 | alpha-humulene | |
bassianolide | [no description available] | medium | 17 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
clove | [no description available] | medium | 2 | 0 | | |
tribulus | [no description available] | medium | 1 | 0 | | |
tebuconazole | [no description available] | medium | 1 | 0 | monochlorobenzenes; tertiary alcohol; triazoles | |
fenoxycarb | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
sabinene | [no description available] | medium | 21 | 0 | thujene | plant metabolite |
calendula | [no description available] | medium | 12 | 0 | | |
fusarium | [no description available] | medium | 10 | 0 | | |
isomethyleugenol | [no description available] | medium | 25 | 1 | isomethyleugenol | |
methyl salicylate | [no description available] | medium | 12 | 1 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
pica | [no description available] | medium | 124 | 2 | | |
eye | [no description available] | medium | 36 | 0 | | |
rosmarinic acid | [no description available] | medium | 2 | 0 | rosmarinic acid | geroprotector; plant metabolite |
benzothiazide | [no description available] | medium | 1 | 1 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
guaifenesin | [no description available] | medium | 9 | 0 | methoxybenzenes | |
iodinated glycerol | [no description available] | medium | 3 | 0 | dioxolane | |
nsc-172755 | [no description available] | medium | 6 | 0 | | |
cetylpyridinium chloride anhydrous | [no description available] | medium | 31 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
rome | [no description available] | medium | 27 | 0 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
borneo | [no description available] | medium | 1 | 0 | organofluorine acaricide | |
diospyros | [no description available] | medium | 1 | 0 | | |
ants | [no description available] | medium | 6 | 0 | | |
glyphosate | [no description available] | medium | 3 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
phenylephrine hydrochloride | [no description available] | medium | 7 | 0 | hydrochloride | |
octachloronaphthalene | [no description available] | medium | 5 | 0 | | |
foxes | [no description available] | medium | 5 | 0 | | |
propiconazole | [no description available] | medium | 6 | 0 | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
nicosulfuron | [no description available] | medium | 1 | 0 | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
phenoxyacetic acid | [no description available] | medium | 5 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | [no description available] | medium | 2 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
asterina | [no description available] | medium | 1 | 0 | | |
trolamine salicylate | [no description available] | medium | 8 | 0 | | |
comfrey | [no description available] | medium | 1 | 0 | | |
enerbol | [no description available] | medium | 1 | 0 | | |
4-methoxyamphetamine | [no description available] | medium | 4 | 0 | | |
fomesafen | [no description available] | medium | 13 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
egg white | [no description available] | medium | 7 | 0 | | |
fenoxaprop ethyl | [no description available] | medium | 1 | 0 | aromatic ether | |
hypericum | [no description available] | medium | 3 | 0 | penicillanic acids | |
sodium ethylxanthate | [no description available] | medium | 3 | 0 | | |
digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
kava | [no description available] | medium | 1 | 1 | | |
jaw | [no description available] | medium | 4 | 0 | indolecarboxamide | |
ascophyllum | [no description available] | medium | 1 | 0 | | |
torpedo | [no description available] | medium | 2 | 0 | | |
vendex | [no description available] | medium | 1 | 0 | organotin acaricide | |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | low | 0 | 0 | amphetamines; benzodioxoles | neurotoxin |
diethyl phthalate | [no description available] | low | 0 | 0 | diester; ethyl ester; phthalate ester | neurotoxin; plasticiser; teratogenic agent |
pseudocumene | [no description available] | low | 0 | 0 | trimethylbenzene | neurotoxin |
3-dinitrobenzene | [no description available] | low | 0 | 0 | dinitrobenzene | neurotoxin |
1-bromopropane | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon | neurotoxin; solvent |
allyl cyanide | [no description available] | low | 0 | 0 | aliphatic nitrile; olefinic compound | antifeedant; neurotoxin; plant metabolite |
n-hexane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
4-hydroxybutyric acid | [no description available] | low | 0 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
hemimellitene | [no description available] | low | 0 | 0 | trimethylbenzene | neurotoxin; plant metabolite |
thallium acetate | [no description available] | low | 0 | 0 | acetate salt; thallium molecular entity | apoptosis inducer; neurotoxin |
n-butylbenzenesulfonamide | [no description available] | low | 0 | 0 | sulfonamide | neurotoxin; plant metabolite |
edifenphos | [no description available] | low | 0 | 0 | organic thiophosphate | antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor |
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | [no description available] | low | 0 | 0 | isoquinolinol; tertiary amino compound | human metabolite; neurotoxin; rat metabolite |
1-methyl-4-phenylpyridinium | [no description available] | low | 0 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
vx | [no description available] | low | 0 | 0 | organic thiophosphate; tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin |
oltipraz | [no description available] | low | 0 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | hydroxylamine; imidazopyridine | carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite |
beta-n-methylamino-l-alanine | [no description available] | low | 0 | 0 | diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | bacterial metabolite; neurotoxin |
acromelic acid a | [no description available] | low | 0 | 0 | pyridone; pyrrolidinecarboxylic acid; tricarboxylic acid | fungal metabolite; neurotoxin; NMDA receptor agonist |
megestrol acetate | [no description available] | low | 0 | 0 | bridged compound; organic heterotetracyclic compound; secondary alcohol; sesquiterpene lactone; spiro compound; tertiary alcohol; tetrol | GABA antagonist; neurotoxin; phytogenic insecticide; plant metabolite |
3,4-dihydroxyphenylglycolaldehyde | [no description available] | low | 0 | 0 | catechols; hydroxyaldehyde | human metabolite; mouse metabolite; neurotoxin |
aminochrome 1 | [no description available] | low | 0 | 0 | indoledione; orthoquinones | neurotoxin |
domoic acid | [no description available] | low | 0 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
t-2 toxin | [no description available] | low | 0 | 0 | acetate ester; organic heterotetracyclic compound; trichothecene | apoptosis inducer; cardiotoxic agent; DNA synthesis inhibitor; environmental contaminant; fungal metabolite; mycotoxin; neurotoxin |
dextromethorphan | [no description available] | low | 0 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist |
dysiherbaine | [no description available] | low | 0 | 0 | amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound | animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin |
decarbamylsaxitoxin | [no description available] | low | 0 | 0 | alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine | bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic |
saxitoxin | [no description available] | low | 0 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |