| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| zinc oxide | Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock. | medium | 26 | 8 | zinc molecular entity | |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| salicylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| betamethasone | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| isoprene | [no description available] | medium | 4 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
| miconazole | [no description available] | medium | 10 | 6 | dichlorobenzene;
ether;
imidazoles | |
| triamcinolone | [no description available] | medium | 3 | 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 |
| clobetasol | [no description available] | medium | 12 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
SMO receptor agonist |
| fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester | anti-allergic agent;
anti-asthmatic drug |
| cephalexin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| nystatin a1 | [no description available] | medium | 21 | 4 | nystatins | |
| lactulose | [no description available] | medium | 1 | 0 | | |
| loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| phenolphthalein | [no description available] | medium | 1 | 0 | phenols | |
| terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
| calendula | [no description available] | medium | 4 | 3 | | |
| sodium dodecyl sulfate | [no description available] | medium | 2 | 0 | organic sodium salt | detergent;
protein denaturant |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| desonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
cyclic ketal;
primary alpha-hydroxy ketone | anti-inflammatory drug |
| zinc sulfate | [no description available] | medium | 1 | 0 | metal sulfate;
zinc molecular entity | fertilizer |
| clonidine | [no description available] | medium | 1 | 0 | clonidine;
imidazoline | |
| gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| ketamine | [no description available] | medium | 1 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| acyclovir | [no description available] | medium | 2 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| glycerol | [no description available] | medium | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| 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 |
| benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
| octadecyl palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester;
wax ester | coral metabolite;
cosmetic |
| gramicidin a | [no description available] | medium | 2 | 0 | | |
| framycetin | [no description available] | medium | 3 | 0 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| menthol | [no description available] | medium | 1 | 1 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| clotrimazole | [no description available] | medium | 6 | 2 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| inositol 3-phosphate | [no description available] | medium | 1 | 0 | | |
| citric acid, anhydrous | [no description available] | medium | 1 | 1 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| sesquiterpenes | [no description available] | medium | 1 | 1 | | |
| ammonium hydroxide | [no description available] | medium | 22 | 0 | 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 |
| piperacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| gentamicin | [no description available] | medium | 1 | 0 | | |
| penicillanic acid | [no description available] | medium | 1 | 0 | penicillanic acids | |
| ampicillin | [no description available] | medium | 3 | 1 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| piperacillin, tazobactam drug combination | [no description available] | medium | 1 | 0 | | |
| silicon | [no description available] | medium | 2 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| urea | [no description available] | medium | 5 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| methionine | [no description available] | medium | 3 | 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 |
| pantothenic acid | [no description available] | medium | 5 | 3 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
| ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| retinol | [no description available] | medium | 5 | 2 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| eosine yellowish-(ys) | [no description available] | medium | 2 | 1 | organic sodium salt;
organobromine compound | fluorochrome;
histological dye |
| aspirin | [no description available] | medium | 1 | 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 |
| cortisone | [no description available] | medium | 2 | 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 |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| oxytetracycline, anhydrous | [no description available] | medium | 2 | 1 | | |
| erythrosine | [no description available] | medium | 1 | 0 | | |
| titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
| benzethonium | [no description available] | medium | 3 | 0 | alkylbenzene | |
| chlorine | [no description available] | medium | 2 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| ammonium chloride | [no description available] | medium | 1 | 0 | ammonium salt;
inorganic chloride | ferroptosis inhibitor |
| hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
| allantoin | [no description available] | medium | 2 | 1 | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary |
| ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic |
| cellulose | [no description available] | medium | 3 | 1 | glycoside | |
| tocopherols | [no description available] | medium | 1 | 0 | | |
| d-alpha tocopherol | [no description available] | medium | 2 | 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 |
| amoxicillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| benzocaine | [no description available] | medium | 2 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| diflucortolone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
| mechlorethamine | [no description available] | medium | 1 | 0 | nitrogen mustard;
organochlorine compound | alkylating agent |
| nitrofurantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| sodium hypochlorite | [no description available] | medium | 1 | 1 | inorganic sodium salt | bleaching agent;
disinfectant |
| salicylates | [no description available] | medium | 2 | 0 | monohydroxybenzoate | plant metabolite |
| sodium bicarbonate | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antacid;
food anticaking agent |
| hydrogen carbonate | [no description available] | medium | 2 | 0 | carbon oxoanion | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| simethicone | [no description available] | medium | 2 | 2 | | |
| egg white | [no description available] | medium | 1 | 0 | | |
| econazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes | |
| triamcinolone acetonide | [no description available] | medium | 2 | 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 |
| pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
| chlorhexidine | [no description available] | medium | 2 | 0 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
| caseins | [no description available] | medium | 3 | 1 | | |
| nickel | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| oxyquinoline | [no description available] | medium | 3 | 1 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| methylene blue | [no description available] | medium | 1 | 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 |
| biotin | [no description available] | medium | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| mupirocin | [no description available] | medium | 1 | 1 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| naphthoquinones | [no description available] | medium | 1 | 0 | | |
| lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| niacin | [no description available] | medium | 1 | 1 | 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 |
| sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | 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 |
| arginine | [no description available] | medium | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| citrulline | [no description available] | medium | 1 | 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 |
| 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 |
| chiniofon | [no description available] | medium | 1 | 0 | | |
| gentian violet | [no description available] | medium | 2 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| mercury | [no description available] | medium | 1 | 1 | elemental mercury;
zinc group element atom | neurotoxin |
| iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug |
| ketotifen | [no description available] | medium | 1 | 0 | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist |
| bufexamac | [no description available] | medium | 1 | 1 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| methylprednisolone | [no description available] | medium | 1 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| 1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
| ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| fusidic acid | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor |
| (9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| 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 |
| khellin | [no description available] | medium | 1 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| fluorides | [no description available] | medium | 1 | 0 | halide anion;
monoatomic fluorine | |
| bromide | [no description available] | medium | 1 | 0 | halide anion;
monoatomic bromine | |
| squalene | [no description available] | medium | 1 | 0 | triterpene | human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| chlorine | [no description available] | medium | 2 | 1 | diatomic chlorine;
gas molecular entity | bleaching agent |
| sulfisoxazole | [no description available] | medium | 1 | 1 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
| penicillin v | [no description available] | medium | 1 | 1 | penicillin allergen;
penicillin | |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| molybdenum | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
| manganese | [no description available] | medium | 1 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
| cadmium | [no description available] | medium | 1 | 0 | cadmium molecular entity;
zinc group element atom | |
| vitamin k 1 | [no description available] | medium | 1 | 0 | phylloquinones;
vitamin K | cofactor;
human metabolite;
plant metabolite |
| chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| boron | [no description available] | medium | 1 | 1 | boron group element atom;
metalloid atom;
nonmetal atom | micronutrient |
| eye | [no description available] | medium | 1 | 0 | | |
| phenyl acetate | [no description available] | medium | 1 | 0 | benzenes;
phenyl acetates | |
| thymol | [no description available] | medium | 53 | 2 | monoterpenoid;
phenols | volatile oil component |
| salicylates | [no description available] | medium | 71 | 3 | monohydroxybenzoate | plant metabolite |
| palladium | [no description available] | medium | 30 | 1 | metal allergen;
nickel group element atom;
platinum group metal atom | |
| aluminum oxide | [no description available] | medium | 114 | 1 | | |
| bismuth | [no description available] | medium | 168 | 10 | metal atom;
pnictogen | |
| titanium | [no description available] | medium | 657 | 12 | titanium group element atom | |
| methenamine | [no description available] | medium | 58 | 2 | polyazaalkane;
polycyclic cage;
tetramine | antibacterial drug |
| barium sulfate | [no description available] | medium | 39 | 2 | barium salt;
inorganic barium salt;
metal sulfate | radioopaque medium |
| formaldehyde | [no description available] | medium | 138 | 3 | 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 |
| silver | [no description available] | medium | 488 | 6 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| guaiacol | [no description available] | medium | 12 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| fr dental filling | [no description available] | medium | 5 | 0 | | |
| haloperidol | [no description available] | medium | 110 | 10 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| fluorescein-5-isothiocyanate | [no description available] | medium | 8 | 0 | fluorescein isothiocyanate | |
| tetramethylrhodamine isothiocyanate | [no description available] | medium | 3 | 0 | | |
| sodium hypochlorite | [no description available] | medium | 27 | 2 | inorganic sodium salt | bleaching agent;
disinfectant |
| citric acid, anhydrous | [no description available] | medium | 11 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| methylene blue | [no description available] | medium | 134 | 7 | 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 |
| n2 dental cement | [no description available] | medium | 100 | 2 | | |
| zinc phosphate | [no description available] | medium | 126 | 5 | | |
| chlorophyll a | [no description available] | medium | 41 | 0 | chlorophyll;
methyl ester | cofactor |
| selenium | [no description available] | medium | 22 | 1 | chalcogen;
nonmetal atom | micronutrient |
| 1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 14 | 0 | | |
| cellulose | [no description available] | medium | 103 | 1 | glycoside | |
| chitosan | [no description available] | medium | 250 | 0 | | |
| cobalt | [no description available] | medium | 63 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| 2,3,4,6-tetrachlorophenol | [no description available] | medium | 33 | 1 | tetrachlorophenol | xenobiotic metabolite |
| 4-chlorophenol | [no description available] | medium | 8 | 0 | monochlorophenol | |
| ovalbumin | [no description available] | medium | 11 | 0 | | |
| cadmium sulfide | [no description available] | medium | 35 | 0 | cadmium molecular entity | |
| triethylamine | [no description available] | medium | 2 | 0 | tertiary amine | |
| methane | [no description available] | medium | 132 | 1 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| tungsten | [no description available] | medium | 15 | 0 | chromium group element atom | micronutrient |
| nickel | [no description available] | medium | 66 | 7 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| chromium | [no description available] | medium | 51 | 0 | chromium group element atom;
metal allergen | micronutrient |
| nickel ferrite | [no description available] | medium | 1 | 0 | | |
| indium | [no description available] | medium | 58 | 0 | boron group element atom | |
| gallium | [no description available] | medium | 78 | 0 | boron group element atom | |
| lead | [no description available] | medium | 63 | 2 | carbon group element atom;
elemental lead;
metal atom | neurotoxin |
| 8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 8 | 0 | guanosines | biomarker |
| gold | [no description available] | medium | 214 | 2 | copper group element atom;
elemental gold | |
| 5-methylcytosine | [no description available] | medium | 2 | 0 | methylcytosine;
pyrimidines | human metabolite |
| 5-hydroxymethylcytosine | [no description available] | medium | 2 | 0 | aminopyrimidine;
aromatic primary alcohol;
nucleobase analogue;
pyrimidone | human metabolite;
mouse metabolite |
| chloranilic acid | [no description available] | medium | 1 | 0 | | |
| fullerene c60 | [no description available] | medium | 17 | 0 | fullerene | geroprotector |
| folic acid | [no description available] | medium | 19 | 1 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| chlorpyrifos | [no description available] | medium | 5 | 0 | chloropyridine;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
| l 743,872 | [no description available] | medium | 1 | 0 | | |
| zeolites | [no description available] | medium | 36 | 1 | | |
| trypan blue | [no description available] | medium | 7 | 0 | | |
| melatonin | [no description available] | medium | 10 | 1 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| arsenic | [no description available] | medium | 24 | 1 | metalloid atom;
pnictogen | micronutrient |
| natriuretic peptide, brain | [no description available] | medium | 2 | 0 | polypeptide | |
| melamine | [no description available] | medium | 3 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
| glycolipids | [no description available] | medium | 4 | 0 | | |
| rosin | [no description available] | medium | 11 | 2 | | |
| interleukin-8 | [no description available] | medium | 34 | 1 | | |
| metformin | [no description available] | medium | 3 | 1 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| curcumin | [no description available] | medium | 43 | 1 | 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 |
| astaxanthine | [no description available] | medium | 1 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| dimethyl sulfone | [no description available] | medium | 1 | 0 | sulfone | |
| dimethyl sulfoxide | [no description available] | medium | 9 | 1 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| pheophytin a | [no description available] | medium | 11 | 0 | | |
| urea | [no description available] | medium | 28 | 2 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| sulfites | [no description available] | medium | 5 | 1 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | |
| titanium dioxide | [no description available] | medium | 510 | 2 | titanium oxides | food colouring |
| tyrosine | [no description available] | medium | 10 | 1 | 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 |
| tryptophan | [no description available] | medium | 10 | 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 |
| s-nitroso-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | nitroso compound;
nitrosothio compound | nitric oxide donor;
vasodilator agent |
| cadmium | [no description available] | medium | 57 | 0 | cadmium molecular entity;
zinc group element atom | |
| cyanides | [no description available] | medium | 3 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| tetracycline | [no description available] | medium | 27 | 0 | | |
| resazurin | [no description available] | medium | 3 | 0 | phenoxazine | |
| xanthenes | [no description available] | medium | 3 | 0 | xanthene | |
| n-vinyl-2-pyrrolidinone | [no description available] | medium | 30 | 1 | pyrrolidin-2-ones | |
| rhodamine b | [no description available] | medium | 50 | 1 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
| 2-bromopropane | [no description available] | medium | 1 | 0 | | |
| ethylbenzene | [no description available] | medium | 3 | 1 | alkylbenzene | |
| glycine | [no description available] | medium | 10 | 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 |
| manganese | [no description available] | medium | 42 | 1 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
| 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 |
| catechin | [no description available] | medium | 4 | 0 | catechin | antioxidant;
plant metabolite |
| epigallocatechin gallate | [no description available] | medium | 3 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| ci 18055 | [no description available] | medium | 3 | 0 | | |
| 4-nitrophenol | [no description available] | medium | 9 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
| nitrophenols | [no description available] | medium | 11 | 0 | | |
| hydrogen sulfide | [no description available] | medium | 15 | 1 | gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride | Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent |
| dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector;
mutagen |
| imidacloprid | [no description available] | medium | 2 | 0 | imidacloprid;
imidazolidines;
monochloropyridine | environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic |
| vitamin k semiquinone radical | [no description available] | medium | 4 | 0 | | |
| retinol | [no description available] | medium | 12 | 1 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| ciprofloxacin | [no description available] | medium | 17 | 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 |
| methanol | [no description available] | medium | 45 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| itraconazole | [no description available] | medium | 2 | 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 |
| clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| fluconazole | [no description available] | medium | 6 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| stannic oxide | [no description available] | medium | 54 | 0 | tin oxide | |
| molybdenum | [no description available] | medium | 22 | 3 | chromium group element atom | micronutrient |
| sulfamethoxazole | [no description available] | medium | 9 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| 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 |
| cysteine | [no description available] | medium | 24 | 2 | cysteinium | fundamental metabolite |
| nitrites | [no description available] | medium | 13 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | human metabolite |
| betaine | [no description available] | medium | 4 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
| malondialdehyde | [no description available] | medium | 49 | 2 | dialdehyde | biomarker |
| phosphorus | [no description available] | medium | 40 | 1 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
| thyroxine | [no description available] | medium | 2 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| triiodothyronine | [no description available] | medium | 2 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| beta-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | Escherichia coli metabolite;
plant metabolite |
| samarium | [no description available] | medium | 5 | 0 | f-block element atom;
lanthanoid atom | |
| eosine yellowish-(ys) | [no description available] | medium | 8 | 1 | organic sodium salt;
organobromine compound | fluorochrome;
histological dye |
| acrylic acid | [no description available] | medium | 31 | 2 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
| monolaurin | [no description available] | medium | 1 | 1 | 1-monoglyceride;
dodecanoate ester;
rac-1-monoacylglycerol | |
| tributyrin | [no description available] | medium | 1 | 1 | butyrate ester;
triglyceride | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug;
protective agent |
| phytol | [no description available] | medium | 1 | 0 | | |
| glycogen | [no description available] | medium | 2 | 0 | | |
| oxalic acid | [no description available] | medium | 6 | 1 | alpha,omega-dicarboxylic acid | algal metabolite;
human metabolite;
plant metabolite |
| silver iodide | [no description available] | medium | 2 | 0 | | |
| iodine | [no description available] | medium | 5 | 0 | halide anion;
monoatomic iodine | human metabolite |
| thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
| acetic acid | [no description available] | medium | 12 | 1 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| berberine | [no description available] | medium | 2 | 0 | alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound | antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker |
| brilliant green | [no description available] | medium | 2 | 0 | organic hydrogensulfate salt | antibacterial agent;
antiseptic drug;
environmental contaminant;
fluorochrome;
histological dye;
poison |
| chromium | [no description available] | medium | 22 | 0 | chromium cation;
monoatomic hexacation | |
| cobalt oxide | [no description available] | medium | 5 | 0 | | |
| acetone | [no description available] | medium | 25 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
| phenanthrenes | [no description available] | medium | 8 | 0 | | |
| zinc nitrate | [no description available] | medium | 17 | 0 | | |
| nitrates | [no description available] | medium | 33 | 1 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| congo red | [no description available] | medium | 22 | 0 | bis(azo) compound | |
| disilver oxide | [no description available] | medium | 14 | 0 | | |
| 2-anisidine | [no description available] | medium | 1 | 0 | monomethoxybenzene;
primary amino compound;
substituted aniline | genotoxin;
reagent |
| ammonium hydroxide | [no description available] | medium | 32 | 0 | 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 |
| adipic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | food acidity regulator;
human xenobiotic metabolite |
| terephthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | |
| alkenes | [no description available] | medium | 5 | 1 | | |
| cerium | [no description available] | medium | 79 | 0 | f-block element atom;
lanthanoid atom | |
| bisphenol a | [no description available] | medium | 13 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
| ozone | [no description available] | medium | 11 | 1 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
| tannins | [no description available] | medium | 6 | 1 | | |
| atrazine | [no description available] | medium | 3 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| 3-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | |
| 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 |
| methyl orange | [no description available] | medium | 61 | 0 | | |
| streptomycin | [no description available] | medium | 4 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| oxytetracycline, anhydrous | [no description available] | medium | 6 | 0 | | |
| carbon monoxide | [no description available] | medium | 15 | 0 | 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 |
| metribuzin | [no description available] | medium | 1 | 0 | 1,2,4-triazines;
cyclic ketone;
organic sulfide | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| orabase | [no description available] | medium | 35 | 0 | | |
| pectins | [no description available] | medium | 11 | 0 | D-galactopyranuronic acid | |
| 7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| struvite | [no description available] | medium | 1 | 0 | hydrate;
phosphate mineral | fertilizer |
| 4-nitroaniline | [no description available] | medium | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
| phthalocyanine | [no description available] | medium | 4 | 0 | phthalocyanines;
tetrapyrrole fundamental parent | |
| ascorbic acid | [no description available] | medium | 54 | 7 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| lignin | [no description available] | medium | 20 | 0 | | |
| biotin | [no description available] | medium | 10 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| durapatite | [no description available] | medium | 50 | 0 | | |
| tylosin | [no description available] | medium | 1 | 0 | | |
| sulfur | [no description available] | medium | 19 | 1 | chalcogen;
nonmetal atom | macronutrient |
| selenious acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
| selenic acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
| sirolimus | [no description available] | medium | 1 | 0 | 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 |
| thymoquinone | [no description available] | medium | 4 | 0 | 1,4-benzoquinones | adjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite |
| lactic acid | [no description available] | medium | 27 | 2 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| niobium | [no description available] | medium | 8 | 0 | vanadium group element atom | |
| mocetinostat | [no description available] | medium | 14 | 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 |
| hydrogen | [no description available] | medium | 50 | 1 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
| arginine | [no description available] | medium | 14 | 1 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| paraoxon | [no description available] | medium | 3 | 0 | aryl dialkyl phosphate;
organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite |
| iodine | [no description available] | medium | 19 | 0 | diatomic iodine | nutrient |
| peroxynitrous acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
| aluminum | [no description available] | medium | 76 | 0 | boron group element atom;
elemental aluminium;
metal atom | |
| fluorine | [no description available] | medium | 14 | 0 | diatomic fluorine;
gas molecular entity | NMR chemical shift reference compound |
| ruthenium | [no description available] | medium | 9 | 0 | iron group element atom;
platinum group metal atom | |
| mercury | [no description available] | medium | 14 | 1 | elemental mercury;
zinc group element atom | neurotoxin |
| bromphenol blue | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone | acid-base indicator;
dye;
two-colour indicator |
| sodium titanate | [no description available] | medium | 1 | 0 | | |
| silicon | [no description available] | medium | 89 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| isoprene | [no description available] | medium | 25 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
| metronidazole | [no description available] | medium | 4 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| bilirubin | [no description available] | medium | 2 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| luminol | [no description available] | medium | 10 | 1 | | |
| toluene | [no description available] | medium | 17 | 1 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| 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 |
| laminaran | [no description available] | medium | 5 | 3 | | |
| enrofloxacin | [no description available] | medium | 2 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| ferric sulfate | [no description available] | medium | 5 | 3 | iron molecular entity;
metal sulfate | astringent;
catalyst;
mordant |
| aspartic acid | [no description available] | medium | 2 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
| 1h-tetrazole | [no description available] | medium | 1 | 0 | one-carbon compound;
tetrazole | |
| gentian violet | [no description available] | medium | 16 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| phenol | [no description available] | medium | 17 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
| glucagon-like peptide 1 | [no description available] | medium | 1 | 0 | | |
| liraglutide | [no description available] | medium | 1 | 0 | lipopeptide;
polypeptide | glucagon-like peptide-1 receptor agonist;
neuroprotective agent |
| tellurium | [no description available] | medium | 20 | 0 | chalcogen;
metalloid atom | |
| cadmium telluride | [no description available] | medium | 7 | 0 | | |
| hesperidin | [no description available] | medium | 4 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| transforming growth factor beta | [no description available] | medium | 6 | 0 | | |
| nadp | [no description available] | medium | 4 | 0 | | |
| clay | [no description available] | medium | 16 | 1 | | |
| citral | [no description available] | medium | 1 | 0 | enal;
monoterpenoid;
polyprenal | plant metabolite;
volatile oil component |
| mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| tretinoin | [no description available] | medium | 3 | 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 |
| fluocinolone acetonide | [no description available] | medium | 3 | 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 |
| tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
| fluorosulfonic acid | [no description available] | medium | 7 | 0 | sulfur oxoacid | NMR solvent |
| glutaral | [no description available] | medium | 11 | 1 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
| tobramycin | [no description available] | medium | 3 | 1 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| apramycin | [no description available] | medium | 1 | 1 | 2-deoxystreptamine derivative;
aminoglycoside;
organic heterobicyclic compound | antibacterial drug;
antimicrobial agent |
| cephalexin | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| thiophenes | [no description available] | medium | 14 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| singlet oxygen | [no description available] | medium | 7 | 0 | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient |
| peroxymonosulfate | [no description available] | medium | 4 | 0 | sulfur oxide;
sulfur oxoanion | |
| quercetin | [no description available] | medium | 14 | 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 |
| fluorides | [no description available] | medium | 48 | 3 | halide anion;
monoatomic fluorine | |
| 2-propanol | [no description available] | medium | 5 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| laccase | [no description available] | medium | 5 | 0 | | |
| zinc fluoride | [no description available] | medium | 1 | 0 | | |
| chlorine | [no description available] | medium | 70 | 1 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| alizarin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
| cetyltrimethylammonium ion | [no description available] | medium | 14 | 0 | quaternary ammonium ion | |
| boron nitride | [no description available] | medium | 3 | 0 | nitride | |
| trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 3 | 0 | | |
| rifampin | [no description available] | medium | 4 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| oleic acid | [no description available] | medium | 10 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| agar | [no description available] | medium | 16 | 0 | | |
| prizes | [no description available] | medium | 2 | 0 | carboxamidine;
monochloropyridine;
nitrile | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| cytochrome c-t | [no description available] | medium | 9 | 0 | | |
| meropenem | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
| imipenem, anhydrous | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen;
carbapenems;
zwitterion | antibacterial drug |
| cefepime | [no description available] | medium | 5 | 1 | cephalosporin;
oxime O-ether | antibacterial drug |
| penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
| glutathione disulfide | [no description available] | medium | 4 | 1 | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite |
| lycopene | [no description available] | medium | 2 | 0 | acyclic carotene | antioxidant;
plant metabolite |
| malachite green | [no description available] | medium | 9 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
| c.i. 42510 | [no description available] | medium | 14 | 2 | | |
| sodium hydroxide | [no description available] | medium | 14 | 0 | alkali metal hydroxide | |
| amoxicillin | [no description available] | medium | 6 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| zinc chloride | [no description available] | medium | 60 | 0 | inorganic chloride;
zinc molecular entity | astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid |
| ceric oxide | [no description available] | medium | 67 | 0 | cerium molecular entity;
metal oxide | |
| phenyl acetate | [no description available] | medium | 22 | 0 | benzenes;
phenyl acetates | |
| propionic acid | [no description available] | medium | 4 | 1 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
| chlorhexidine | [no description available] | medium | 36 | 1 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
| pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
| leptin | [no description available] | medium | 2 | 1 | | |
| 2-tert-butylhydroquinone | [no description available] | medium | 1 | 0 | hydroquinones | food antioxidant |
| catechol | [no description available] | medium | 4 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| hydroquinone | [no description available] | medium | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| yttrium | [no description available] | medium | 17 | 1 | d-block element atom;
rare earth metal atom;
scandium group element atom | |
| carbaryl | [no description available] | medium | 1 | 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 |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| zithromax | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| warfarin | [no description available] | medium | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| perovskite | [no description available] | medium | 8 | 0 | | |
| hydroxyethyl methacrylate | [no description available] | medium | 9 | 1 | enoate ester | allergen;
polymerisation monomer |
| 5-hydroxymethylfurfural | [no description available] | medium | 1 | 0 | arenecarbaldehyde;
furans;
primary alcohol | indicator;
Maillard reaction product |
| racemethionine | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
sulfur-containing amino acid | algal metabolite;
Daphnia magna metabolite;
Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| methionine | [no description available] | medium | 21 | 5 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| nitrogen dioxide | [no description available] | medium | 11 | 1 | nitrogen oxide | |
| reactive yellow 2 | [no description available] | medium | 1 | 0 | | |
| pyruvaldehyde | [no description available] | medium | 2 | 0 | 2-oxo aldehyde;
propanals | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| tungstate | [no description available] | medium | 1 | 0 | divalent inorganic anion;
tungsten oxoanion | |
| gallium nitride | [no description available] | medium | 29 | 0 | | |
| diclofenac | [no description available] | medium | 6 | 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 |
| sucrose | [no description available] | medium | 7 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| 2,2-bis(bromomethyl)-1,3-propanediol | [no description available] | medium | 1 | 0 | primary alcohol | |
| hematoxylin | [no description available] | medium | 3 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
| acetylcysteine | [no description available] | medium | 10 | 0 | 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 |
| gallium oxide | [no description available] | medium | 17 | 0 | | |
| hydrogen cyanide | [no description available] | medium | 5 | 0 | hydracid;
one-carbon compound | Escherichia coli metabolite;
human metabolite;
poison |
| cyanogen | [no description available] | medium | 3 | 0 | dinitrile;
pseudohalogen | |
| cupric sulfide | [no description available] | medium | 1 | 0 | | |
| ibuprofen | [no description available] | medium | 6 | 1 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| ro13-9904 | [no description available] | medium | 2 | 0 | | |
| caprolactone | [no description available] | medium | 1 | 0 | epsilon-lactone | |
| eriochrome black t | [no description available] | medium | 3 | 0 | | |
| luteolin | [no description available] | medium | 6 | 1 | 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 |
| strontium | [no description available] | medium | 17 | 1 | alkaline earth metal atom | |
| adenine | [no description available] | medium | 3 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxychloroquine | [no description available] | medium | 2 | 0 | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug |
| vinyl chloride | [no description available] | medium | 2 | 0 | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent |
| amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| europium | [no description available] | medium | 20 | 1 | f-block element atom;
lanthanoid atom | |
| phenanthrene | [no description available] | medium | 3 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
| dialuminum magnesium tetraoxide | [no description available] | medium | 1 | 0 | | |
| propylparaben | [no description available] | medium | 4 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| magnesium phosphate (2:3) | [no description available] | medium | 1 | 0 | inorganic magnesium salt | |
| allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary |
| acrylamide | [no description available] | medium | 2 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
| nad | [no description available] | medium | 4 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| bismuth oxychloride | [no description available] | medium | 1 | 0 | | |
| tricalcium phosphate | [no description available] | medium | 34 | 2 | calcium phosphate | |
| ceftiofur | [no description available] | medium | 1 | 0 | | |
| hydrazine | [no description available] | medium | 11 | 1 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| cefixime | [no description available] | medium | 2 | 0 | | |
| dimethylformamide | [no description available] | medium | 1 | 0 | formamides;
volatile organic compound | geroprotector;
hepatotoxic agent;
polar aprotic solvent |
| alloxan | [no description available] | medium | 3 | 0 | pyrimidone | hyperglycemic agent;
metabolite |
| cupric acetate | [no description available] | medium | 1 | 0 | | |
| d-alpha tocopherol | [no description available] | medium | 26 | 6 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| 4-butyrolactone | [no description available] | medium | 2 | 0 | butan-4-olide | metabolite;
neurotoxin |
| plasminogen activator inhibitor 2 | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| florfenicol | [no description available] | medium | 2 | 0 | organochlorine compound;
organofluorine compound;
secondary alcohol;
secondary carboxamide;
sulfone | antimicrobial agent |
| nickel monoxide | [no description available] | medium | 29 | 0 | | |
| azinphosmethyl | [no description available] | medium | 1 | 0 | benzotriazines;
organic thiophosphate;
organothiophosphate insecticide | agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| calcium sulfate | [no description available] | medium | 116 | 18 | calcium salt;
inorganic calcium salt | |
| stearic acid | [no description available] | medium | 7 | 0 | long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid | algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite |
| hydroxyurea | [no description available] | medium | 1 | 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 |
| perfluorooctanoic acid | [no description available] | medium | 3 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
| proline | [no description available] | medium | 8 | 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 |
| zinc glycinate | [no description available] | medium | 1 | 1 | | |
| chloramphenicol | [no description available] | medium | 8 | 1 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| 2,3-dimethylmaleic anhydride | [no description available] | medium | 1 | 0 | butenolide | |
| zinc sulfate | [no description available] | medium | 58 | 11 | metal sulfate;
zinc molecular entity | fertilizer |
| elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
| pkh 26 | [no description available] | medium | 1 | 0 | | |
| 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 |
| levofloxacin | [no description available] | medium | 4 | 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 |
| barium titanate(iv) | [no description available] | medium | 3 | 0 | | |
| erbium | [no description available] | medium | 6 | 1 | f-block element atom;
lanthanoid atom | |
| ditiocarb | [no description available] | medium | 2 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| fluorouracil | [no description available] | medium | 5 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| zirconium | [no description available] | medium | 66 | 1 | titanium group element atom | |
| zearalenone | [no description available] | medium | 2 | 0 | macrolide;
resorcinols | fungal metabolite;
mycoestrogen |
| cinnamaldehyde | [no description available] | medium | 3 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
| sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | |
| triclosan | [no description available] | medium | 6 | 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 |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| cetirizine | [no description available] | medium | 1 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| levocetirizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| myricetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
hexahydroxyflavone | antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite |
| ampicillin | [no description available] | medium | 5 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| sodium borate | [no description available] | medium | 3 | 0 | | |
| norfloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| indoxacarb | [no description available] | medium | 1 | 0 | methyl ester;
organochlorine insecticide | voltage-gated sodium channel blocker |
| 1-butanol | [no description available] | medium | 3 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
| glycerol | [no description available] | medium | 27 | 2 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| carbapenems | [no description available] | medium | 1 | 0 | | |
| limestone | [no description available] | medium | 15 | 0 | calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound | antacid;
fertilizer;
food colouring;
food firming agent |
| pyrroles | [no description available] | medium | 22 | 1 | pyrrole;
secondary amine | |
| milrinone | [no description available] | medium | 1 | 0 | bipyridines;
nitrile;
pyridone | cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| lithium | [no description available] | medium | 15 | 0 | alkali metal atom | |
| zinc carbonate | [no description available] | medium | 10 | 0 | organooxygen compound | |
| tannins | [no description available] | medium | 1 | 0 | tannin | |
| tromethamine | [no description available] | medium | 3 | 0 | primary amino compound;
triol | buffer |
| benzo(a)pyrene | [no description available] | medium | 5 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| glutamine | [no description available] | medium | 4 | 2 | 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 |
| anorthite | [no description available] | medium | 1 | 0 | | |
| angiotensin ii | [no description available] | medium | 3 | 1 | amino acid zwitterion;
angiotensin II | human metabolite |
| ethyl acetate | [no description available] | medium | 3 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
| 3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 2 | 0 | | |
| benzene | [no description available] | medium | 10 | 1 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| gibberellic acid | [no description available] | medium | 3 | 0 | C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound | mouse metabolite;
plant metabolite |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfaguanidine | [no description available] | medium | 1 | 0 | sulfonamide antibiotic | antiinfective agent |
| gemcitabine | [no description available] | medium | 2 | 0 | 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 |
| erlotinib hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride;
terminal acetylenic compound | antineoplastic agent;
protein kinase inhibitor |
| oxyquinoline | [no description available] | medium | 4 | 1 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| hydroxyl radical | [no description available] | medium | 23 | 1 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| iridium | [no description available] | medium | 3 | 1 | cobalt group element atom;
platinum group metal atom | |
| chlorquinaldol | [no description available] | medium | 2 | 1 | monohydroxyquinoline;
organochlorine compound | antibacterial drug;
antiprotozoal drug;
antiseptic drug |
| indigo carmine | [no description available] | medium | 1 | 1 | | |
| n-methyladenosine | [no description available] | medium | 1 | 1 | methyladenosine | |
| sodium metabisulfite | [no description available] | medium | 1 | 1 | inorganic sodium salt | food antioxidant |
| dithiothreitol | [no description available] | medium | 2 | 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 | |
| carmine | [no description available] | medium | 1 | 1 | | |
| protocatechuic acid | [no description available] | medium | 3 | 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 | 6 | 3 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| sulfadiazine | [no description available] | medium | 2 | 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 |
| galactose | [no description available] | medium | 1 | 1 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
| ethylene glycol | [no description available] | medium | 4 | 1 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
| uracil | [no description available] | medium | 3 | 1 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| acebutolol | [no description available] | medium | 1 | 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 | 1 | 1 | mitomycin | alkylating agent;
antineoplastic agent |
| 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 |
| triazoles | [no description available] | medium | 1 | 1 | 1,2,3-triazole | |
| 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 |
| carbostyril | [no description available] | medium | 2 | 1 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
| erythrosine | [no description available] | medium | 6 | 2 | | |
| vancomycin | [no description available] | medium | 7 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| captan | [no description available] | medium | 1 | 0 | isoindoles;
organochlorine compound;
organosulfur compound;
phthalimide fungicide | antifungal agrochemical |
| carbamates | [no description available] | medium | 5 | 0 | amino-acid anion | |
| carbendazim | [no description available] | medium | 1 | 0 | benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent |
| methamphetamine | [no description available] | medium | 1 | 0 | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic |
| potassium bromate | [no description available] | medium | 2 | 0 | bromate salt;
potassium salt | flour treatment agent |
| bromates | [no description available] | medium | 2 | 0 | bromine oxoanion;
monovalent inorganic anion | |
| kaolinite | [no description available] | medium | 10 | 0 | aluminosilicate mineral;
mixture | antidiarrhoeal drug;
excipient |
| minocycline | [no description available] | medium | 3 | 0 | | |
| beta-lactams | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen;
beta-lactam | |
| hafnium | [no description available] | medium | 3 | 0 | titanium group element atom | |
| benzophenoneidum | [no description available] | medium | 2 | 0 | hydrochloride | fluorochrome;
histological dye |
| zinc methionine | [no description available] | medium | 15 | 5 | | |
| tetrabromobisphenol a | [no description available] | medium | 5 | 0 | brominated flame retardant;
bromobisphenol | |
| concanavalin a | [no description available] | medium | 8 | 0 | | |
| zopiclone | [no description available] | medium | 1 | 1 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| peoniflorin | [no description available] | medium | 1 | 0 | | |
| galactomannan | [no description available] | medium | 1 | 0 | oligosaccharide | |
| tantalum | [no description available] | medium | 4 | 0 | vanadium group element atom | |
| tantalum oxide | [no description available] | medium | 1 | 0 | | |
| platinum oxide | [no description available] | medium | 1 | 0 | | |
| platinum | [no description available] | medium | 34 | 0 | elemental platinum;
nickel group element atom;
platinum group metal atom | |
| acetylcellulose | [no description available] | medium | 6 | 0 | | |
| sorafenib | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
| vanillic acid | [no description available] | medium | 6 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| ofloxacin | [no description available] | medium | 2 | 1 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| nitazoxanide | [no description available] | medium | 1 | 0 | benzamides;
carboxylic ester | |
| bms-790052 | [no description available] | medium | 1 | 0 | biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative | antiviral drug;
nonstructural protein 5A inhibitor |
| 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 |
| carbocyanines | [no description available] | medium | 5 | 0 | cyanine dye;
organic iodide salt | fluorochrome |
| salicylic acid | [no description available] | medium | 17 | 2 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| homoserine lactone | [no description available] | medium | 1 | 0 | ammonium ion derivative;
organic cation | |
| hyaluronoglucosaminidase | [no description available] | medium | 1 | 0 | | |
| gibberellins | [no description available] | medium | 2 | 0 | | |
| riboflavin | [no description available] | medium | 6 | 1 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| erythromycin | [no description available] | medium | 4 | 1 | cyclic ketone;
erythromycin | |
| caffeine | [no description available] | medium | 3 | 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 |
| ginsenoside rh2 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid;
20-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | antineoplastic agent;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
hepatoprotective agent;
plant metabolite |
| ginsenosides | [no description available] | medium | 1 | 0 | | |
| betadex | [no description available] | medium | 15 | 0 | cyclodextrin | |
| glutamic acid | [no description available] | medium | 5 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| vantocil | [no description available] | medium | 1 | 0 | | |
| biguanides | [no description available] | medium | 1 | 0 | guanidines | |
| sodium fluoride | [no description available] | medium | 18 | 2 | fluoride salt | mutagen |
| oxybenzone | [no description available] | medium | 8 | 0 | hydroxybenzophenone;
monomethoxybenzene | dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic |
| octylmethoxycinnamate | [no description available] | medium | 6 | 0 | cinnamate ester | |
| 4-aminobenzoic acid | [no description available] | medium | 6 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
| silver chloride | [no description available] | medium | 5 | 0 | inorganic chloride;
silver salt | |
| n,n-dimethylarginine | [no description available] | medium | 2 | 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 | 2 | 0 | alpha-amino acid | |
| oxacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial agent;
antibacterial drug |
| methicillin | [no description available] | medium | 3 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| acetyl-11-ketoboswellic acid | [no description available] | medium | 1 | 0 | triterpenoid | |
| cadmium chloride | [no description available] | medium | 4 | 0 | cadmium coordination entity | |
| thulium | [no description available] | medium | 5 | 0 | f-block element atom;
lanthanoid atom | |
| ytterbium | [no description available] | medium | 13 | 0 | f-block element atom;
lanthanoid atom | |
| 5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE | human metabolite;
mouse metabolite |
| calcein am | [no description available] | medium | 2 | 0 | 2-benzofurans;
acetate ester;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
xanthene dye | fluorochrome |
| sodium glutamate | [no description available] | medium | 4 | 0 | monosodium glutamate | flavouring agent |
| calcium aluminate | [no description available] | medium | 6 | 0 | | |
| epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| methotrexate | [no description available] | medium | 3 | 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 |
| paclitaxel | [no description available] | medium | 3 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| mannose | [no description available] | medium | 1 | 0 | D-aldohexose;
D-mannose;
mannopyranose | metabolite |
| 2,4,6-trichlorophenol | [no description available] | medium | 2 | 0 | trichlorophenol | carcinogenic agent |
| 2,4-dichlorophenol | [no description available] | medium | 7 | 0 | dichlorophenol | |
| silver bromide | [no description available] | medium | 3 | 0 | | |
| bromide | [no description available] | medium | 3 | 0 | halide anion;
monoatomic bromine | |
| silver phosphate | [no description available] | medium | 1 | 0 | | |
| spermine | [no description available] | medium | 1 | 0 | polyazaalkane;
tetramine | antioxidant;
fundamental metabolite;
immunosuppressive agent |
| spermidine | [no description available] | medium | 1 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
| 4-vinylpyridine | [no description available] | medium | 1 | 0 | | |
| c.i. basic blue 41 | [no description available] | medium | 1 | 0 | | |
| amido black | [no description available] | medium | 2 | 0 | | |
| lanthanum | [no description available] | medium | 9 | 0 | f-block element atom;
lanthanoid atom;
scandium group element atom | |
| homocysteine | [no description available] | medium | 2 | 0 | amino acid zwitterion;
homocysteine;
serine family amino acid | fundamental metabolite;
mouse metabolite |
| parathion | [no description available] | medium | 1 | 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 |
| rubidium | [no description available] | medium | 1 | 0 | alkali metal atom | |
| alpha-synuclein | [no description available] | medium | 2 | 0 | | |
| nsc 520594 | [no description available] | medium | 1 | 0 | | |
| octadecyl palmitate | [no description available] | medium | 5 | 0 | hexadecanoate ester;
wax ester | coral metabolite;
cosmetic |
| tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| thiram | [no description available] | medium | 3 | 0 | organic disulfide | antibacterial drug;
antifungal agrochemical;
antiseptic drug |
| thiourea | [no description available] | medium | 4 | 1 | one-carbon compound;
thioureas;
ureas | antioxidant;
chromophore |
| n-succinyl-chitosan | [no description available] | medium | 1 | 0 | | |
| benzofuran | [no description available] | medium | 1 | 0 | 1-benzofurans;
benzofuran | |
| benzofurans | [no description available] | medium | 4 | 0 | | |
| tempo | [no description available] | medium | 2 | 0 | aminoxyls;
piperidines | catalyst;
ferroptosis inhibitor;
radical scavenger |
| gefitinib | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| uric acid | [no description available] | medium | 18 | 2 | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| 2-(n-morpholino)ethanesulfonic acid | [no description available] | medium | 1 | 0 | MES;
organosulfonic acid;
zwitterion | |
| histidine | [no description available] | medium | 9 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| naringenin | [no description available] | medium | 2 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| lysine | [no description available] | medium | 10 | 1 | 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 |
| glucose, (beta-d)-isomer | [no description available] | medium | 4 | 1 | D-glucopyranose | epitope;
mouse metabolite |
| stevioside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| vitamin b 6 | [no description available] | medium | 1 | 0 | | |
| carnitine | [no description available] | medium | 2 | 0 | amino-acid betaine | human metabolite;
mouse metabolite |
| calamine (pharmaceutical preparation) | [no description available] | medium | 15 | 0 | | |
| methacrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
| cysteamine | [no description available] | medium | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| acetaminophen | [no description available] | medium | 6 | 1 | 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 |
| codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| mannans | [no description available] | medium | 6 | 0 | | |
| buprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | delta-opioid receptor antagonist;
kappa-opioid receptor antagonist;
mu-opioid receptor agonist;
opioid analgesic |
| acrolein | [no description available] | medium | 4 | 0 | enal | herbicide;
human xenobiotic metabolite;
toxin |
| resveratrol | [no description available] | medium | 4 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| carvacrol | [no description available] | medium | 2 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
| sulfuric acid | [no description available] | medium | 8 | 0 | sulfur oxoacid | catalyst |
| azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| propane | [no description available] | medium | 2 | 0 | alkane;
gas molecular entity | food propellant |
| butane | [no description available] | medium | 3 | 0 | alkane;
gas molecular entity | food propellant;
refrigerant |
| phencyclidine | [no description available] | medium | 18 | 1 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| jarosite | [no description available] | medium | 1 | 0 | | |
| salubrinal | [no description available] | medium | 1 | 0 | aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas | |
| 4-thiopyridine | [no description available] | medium | 1 | 0 | | |
| manganese dioxide | [no description available] | medium | 5 | 1 | manganese molecular entity;
metal oxide | |
| triamcinolone acetonide | [no description available] | medium | 9 | 1 | 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 |
| 2,4-dichlorophenoxyacetic acid | [no description available] | medium | 5 | 0 | chlorophenoxyacetic acid;
dichlorobenzene | agrochemical;
defoliant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent |
| sennoside a&b | [no description available] | medium | 1 | 0 | | |
| gallic acid | [no description available] | medium | 6 | 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 |
| acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent |
| tin | [no description available] | medium | 18 | 0 | carbon group element atom;
elemental tin;
metal atom | micronutrient |
| pyrethrins | [no description available] | medium | 5 | 1 | | |
| decamethrin | [no description available] | medium | 2 | 1 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
| byl719 | [no description available] | medium | 1 | 1 | proline derivative | |
| plx4032 | [no description available] | medium | 1 | 1 | aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide | antineoplastic agent;
B-Raf inhibitor |
| lenalidomide | [no description available] | medium | 1 | 1 | aromatic amine;
dicarboximide;
isoindoles;
piperidones | angiogenesis inhibitor;
antineoplastic agent;
immunomodulator |
| temozolomide | [no description available] | medium | 2 | 1 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| salmeterol xinafoate | [no description available] | medium | 1 | 1 | naphthoic acid | |
| galactosamine | [no description available] | medium | 1 | 1 | D-galactosamine;
primary amino compound | toxin |
| calcium peroxide | [no description available] | medium | 1 | 1 | calcium oxides | |
| piperidines | [no description available] | medium | 4 | 2 | | |
| bortezomib | [no description available] | medium | 1 | 1 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| succinic acid | [no description available] | medium | 2 | 1 | alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid | anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent |
| levonorgestrel | [no description available] | medium | 1 | 1 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| fluticasone | [no description available] | medium | 1 | 1 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester | anti-allergic agent;
anti-asthmatic drug |
| albendazole | [no description available] | medium | 1 | 1 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| homoorientin | [no description available] | medium | 3 | 1 | flavone C-glycoside;
tetrahydroxyflavone | antineoplastic agent;
radical scavenger |
| adenosine | [no description available] | medium | 1 | 1 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| chloroquine | [no description available] | medium | 1 | 1 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| chlorogenic acid | [no description available] | medium | 2 | 1 | cinnamate ester;
tannin | food component;
plant metabolite |
| framycetin | [no description available] | medium | 2 | 1 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| pyrimethamine | [no description available] | medium | 1 | 1 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| fibrinogen | [no description available] | medium | 4 | 1 | iditol | fungal metabolite |
| thiazoles | [no description available] | medium | 15 | 1 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| thiohydantoins | [no description available] | medium | 1 | 1 | | |
| fluorodeoxyglucose f18 | [no description available] | medium | 1 | 1 | 2-deoxy-2-((18)F)fluoro-D-glucose;
2-deoxy-2-fluoro-aldehydo-D-glucose | |
| carfilzomib | [no description available] | medium | 1 | 1 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| niraparib | [no description available] | medium | 1 | 1 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent |
| nitroxyl | [no description available] | medium | 3 | 1 | nitrogen oxoacid | |
| organophosphonates | [no description available] | medium | 4 | 2 | divalent inorganic anion;
phosphite ion | |
| hydantoins | [no description available] | medium | 1 | 1 | imidazolidine-2,4-dione | |
| indazoles | [no description available] | medium | 2 | 1 | indazole | |
| empagliflozin | [no description available] | medium | 1 | 1 | aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| ferrostatin-1 | [no description available] | medium | 1 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
| pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| brine | [no description available] | medium | 1 | 0 | | |
| oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
| gentamicin | [no description available] | medium | 4 | 0 | | |
| thiazolyl blue | [no description available] | medium | 9 | 0 | organic bromide salt | colorimetric reagent;
dye |
| amphotericin b | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| alanine | [no description available] | medium | 4 | 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 |
| metalaxyl | [no description available] | medium | 1 | 0 | alanine derivative;
aromatic amide;
carboxamide;
ether;
methyl ester | |
| palladium oxide | [no description available] | medium | 2 | 0 | | |
| 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| caseins | [no description available] | medium | 5 | 1 | | |
| imidazole | [no description available] | medium | 6 | 0 | imidazole | |
| phenylalanine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid | algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| syringic acid | [no description available] | medium | 2 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| fructooligosaccharide | [no description available] | medium | 1 | 0 | oligosaccharide | |
| edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant;
radical scavenger |
| deoxycytidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| aflatoxin b1 | [no description available] | medium | 1 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| perylene | [no description available] | medium | 4 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
| osteoprotegerin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
| remazol black b | [no description available] | medium | 4 | 0 | | |
| sepharose | [no description available] | medium | 3 | 0 | | |
| germanium | [no description available] | medium | 6 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| germanium oxide | [no description available] | medium | 4 | 0 | | |
| anatoxin a | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| cyanoginosin lr | [no description available] | medium | 4 | 0 | microcystin | bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| carboplatin | [no description available] | medium | 1 | 0 | | |
| amyloid beta-peptides | [no description available] | medium | 1 | 0 | | |
| lithium borate | [no description available] | medium | 1 | 0 | borate salts | |
| geraniol | [no description available] | medium | 2 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| nifedipine | [no description available] | medium | 4 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| avobenzone | [no description available] | medium | 5 | 0 | dihydrochalcones | |
| metallothionein | [no description available] | medium | 22 | 0 | | |
| copper sulfate | [no description available] | medium | 14 | 4 | metal sulfate | emetic;
fertilizer;
sensitiser |
| carbadox | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
| 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 |
| pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cuprous sulfide | [no description available] | medium | 1 | 0 | copper sulfide | |
| tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
| oseltamivir | [no description available] | medium | 1 | 0 | acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic |
| boric acid | [no description available] | medium | 5 | 1 | boric acids | astringent |
| di-4-aneppdhq | [no description available] | medium | 1 | 0 | | |
| tartrazine | [no description available] | medium | 4 | 0 | | |
| cupric chloride | [no description available] | medium | 7 | 0 | copper molecular entity;
inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
| ferulic acid | [no description available] | medium | 3 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| 4-cresol | [no description available] | medium | 3 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
| orange g | [no description available] | medium | 3 | 0 | | |
| ketoprofen | [no description available] | medium | 4 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| nystatin a1 | [no description available] | medium | 6 | 0 | nystatins | |
| hafnia | [no description available] | medium | 1 | 0 | | |
| muramidase | [no description available] | medium | 10 | 0 | | |
| levodopa | [no description available] | medium | 3 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| ferric chloride | [no description available] | medium | 4 | 0 | iron coordination entity | astringent;
Lewis acid |
| urethane | [no description available] | medium | 6 | 0 | carbamate ester | fungal metabolite;
mutagen |
| ether | [no description available] | medium | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
| bromochloroacetic acid | [no description available] | medium | 3 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound | |
| benzoic acid | [no description available] | medium | 3 | 1 | 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 |
| clinoptilolite | [no description available] | medium | 1 | 0 | | |
| sodium thiosulfate | [no description available] | medium | 2 | 0 | inorganic sodium salt | antidote to cyanide poisoning;
antifungal drug;
nephroprotective agent |
| thiosulfates | [no description available] | medium | 2 | 0 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | human metabolite |
| linezolid | [no description available] | medium | 1 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| epiglucan | [no description available] | medium | 2 | 0 | | |
| linoleic acid | [no description available] | medium | 2 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
plant metabolite |
| monomethylarsonic acid | [no description available] | medium | 2 | 1 | arsonic acids;
one-carbon compound;
organoarsonic acid | |
| cacodylic acid | [no description available] | medium | 1 | 1 | organoarsenic compound | xenobiotic metabolite |
| ferrous fumarate | [no description available] | medium | 2 | 2 | dicarboxylic acid | |
| chondroitin sulfates | [no description available] | medium | 2 | 0 | | |
| 3-(trimethoxysilyl)propyl methacrylate | [no description available] | medium | 3 | 0 | | |
| perfluorooctane sulfonic acid | [no description available] | medium | 4 | 0 | perfluoroalkanesulfonic acid | antilipemic drug;
persistent organic pollutant |
| glucuronic acid | [no description available] | medium | 19 | 0 | D-glucuronic acid | algal metabolite |
| iodoform | [no description available] | medium | 17 | 1 | iodomethanes | |
| tris(2,2'-bipyridine)ruthenium(II) | [no description available] | medium | 3 | 0 | ruthenium coordination entity | fluorochrome |
| ytterbium fluoride | [no description available] | medium | 2 | 0 | | |
| caprylates | [no description available] | medium | 2 | 0 | fatty acid anion 8:0;
straight-chain saturated fatty acid anion | human metabolite;
Saccharomyces cerevisiae metabolite |
| nitric acid | [no description available] | medium | 3 | 0 | nitrogen oxoacid | protic solvent;
reagent |
| deoxyguanosine | [no description available] | medium | 5 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| dibutyl phthalate | [no description available] | medium | 3 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
| thiamine | [no description available] | medium | 2 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| rubeanic acid | [no description available] | medium | 1 | 0 | | |
| 3-mercaptopropionic acid | [no description available] | medium | 3 | 0 | mercaptopropanoic acid | algal metabolite |
| phenytoin | [no description available] | medium | 3 | 1 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| phosphoric acid | [no description available] | medium | 11 | 1 | phosphoric acids | algal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent |
| docusate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| niobium pentoxide | [no description available] | medium | 3 | 0 | | |
| neodymium | [no description available] | medium | 8 | 0 | f-block element atom;
lanthanoid atom | |
| molybdenum disulfide | [no description available] | medium | 3 | 0 | sulfide salt | |
| colistin | [no description available] | medium | 2 | 0 | | |
| lactose | [no description available] | medium | 7 | 1 | lactose | |
| 1-anilino-8-naphthalenesulfonate | [no description available] | medium | 8 | 0 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
| penicillamine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| hydroxyproline | [no description available] | medium | 4 | 0 | 4-hydroxyproline;
L-alpha-amino acid zwitterion | human metabolite;
mouse metabolite;
plant metabolite |
| gadolinium oxide | [no description available] | medium | 2 | 0 | | |
| gadolinium | [no description available] | medium | 9 | 0 | f-block element atom;
lanthanoid atom | |
| baicalein | [no description available] | medium | 1 | 0 | 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 | 1 | 0 | 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 |
| guanine | [no description available] | medium | 5 | 0 | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| hydroxyethylcellulose | [no description available] | medium | 1 | 0 | | |
| dimethylarginine | [no description available] | medium | 1 | 0 | | |
| edetic acid | [no description available] | medium | 23 | 3 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines;
benzodioxoles | neurotoxin |
| 1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
| transferrin | [no description available] | medium | 2 | 0 | | |
| quinoline | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
| acridine orange | [no description available] | medium | 4 | 0 | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye |
| diethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen |
| bisabolol | [no description available] | medium | 1 | 1 | | |
| sesquiterpenes | [no description available] | medium | 2 | 1 | | |
| copper gluconate | [no description available] | medium | 7 | 3 | organic molecular entity | |
| gluconic acid | [no description available] | medium | 5 | 2 | gluconic acid | chelator;
Penicillium metabolite |
| cadmium oxide | [no description available] | medium | 12 | 0 | | |
| dacarbazine | [no description available] | medium | 1 | 0 | dacarbazine | |
| alcohol oxidase | [no description available] | medium | 1 | 0 | | |
| cesium | [no description available] | medium | 7 | 0 | alkali metal atom | |
| aluminum sulfate | [no description available] | medium | 2 | 0 | aluminium sulfate | |
| daunorubicin | [no description available] | medium | 6 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| ru 42173 | [no description available] | medium | 1 | 0 | benzazepine | |
| potassium persulfate | [no description available] | medium | 1 | 0 | | |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| quinaprilat | [no description available] | medium | 1 | 0 | dicarboxylic acid;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
vasodilator agent |
| quinapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| 1-(6-hydroxy-2-isopropenyl-1-benzofuran-5-yl)-1-ethanone | [no description available] | medium | 2 | 0 | benzofurans | metabolite |
| octocrylene | [no description available] | medium | 5 | 0 | diarylmethane | |
| bisphenol b | [no description available] | medium | 1 | 0 | bisphenol | |
| methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
| di-n-pentyl phthalate | [no description available] | medium | 1 | 0 | diester;
phthalate ester | plasticiser |
| ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester;
paraben | antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite |
| phthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
| dimethyl suberimidate | [no description available] | medium | 1 | 0 | | |
| 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 4 | 0 | | |
| phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| molybdenum dioxide | [no description available] | medium | 2 | 0 | | |
| 2,2-di(4-methacryloxyphenyl)propane | [no description available] | medium | 1 | 0 | bisphenol;
enoate ester | metabolite |
| lissamine rhodamine b | [no description available] | medium | 4 | 0 | | |
| corticosterone | [no description available] | medium | 2 | 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 |
| propylene glycol | [no description available] | medium | 4 | 0 | glycol;
propane-1,2-diols | allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent |
| 3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols;
monohydroxyflavone | |
| naphthalene | [no description available] | medium | 2 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| bisphenol a-glycidyl methacrylate | [no description available] | medium | 41 | 3 | diarylmethane | |
| triethylene glycol dimethacrylate | [no description available] | medium | 3 | 0 | | |
| asiatic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
triol | angiogenesis modulating agent;
metabolite |
| prednisolone | [no description available] | medium | 11 | 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 |
| betamethasone | [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;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| clozapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| indomethacin | [no description available] | medium | 2 | 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 |
| oxazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| 4,4'-bisphenol f | [no description available] | medium | 1 | 0 | bisphenol;
diarylmethane | environmental food contaminant;
xenoestrogen |
| alpha-chymotrypsin | [no description available] | medium | 2 | 0 | | |
| 1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
| dihydropyridines | [no description available] | medium | 1 | 0 | | |
| dysprosium | [no description available] | medium | 2 | 0 | f-block element atom;
lanthanoid atom | |
| beta-escin | [no description available] | medium | 3 | 0 | | |
| bacoside a | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
| 3-hydroxy-3-methylglutaryl-coenzyme a | [no description available] | medium | 1 | 0 | 3-hydroxy-3-methylglutaryl-CoA;
3-hydroxy fatty acyl-CoA | human metabolite;
mouse metabolite |
| indium phosphide | [no description available] | medium | 1 | 0 | | |
| ethyl cellulose | [no description available] | medium | 1 | 0 | glycoside | |
| vanadium | [no description available] | medium | 7 | 0 | elemental vanadium;
vanadium group element atom | micronutrient |
| 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 |
| tangeretin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | antineoplastic agent;
plant metabolite |
| nicotine | [no description available] | medium | 3 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
| perfluorobutyric acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | chromatographic reagent;
environmental contaminant;
xenobiotic |
| fluorophosphate | [no description available] | medium | 1 | 0 | fluorine molecular entity;
phosphoric acid derivative | |
| perfluorohexanoic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | environmental contaminant;
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 |
| lucanthone hydrochloride | [no description available] | medium | 1 | 0 | | |
| cordierite | [no description available] | medium | 2 | 0 | | |
| chlortetracycline | [no description available] | medium | 2 | 0 | | |
| acetyl acetonate | [no description available] | medium | 1 | 0 | | |
| ammonium nitrate | [no description available] | medium | 3 | 0 | ammonium salt;
inorganic molecular entity;
inorganic nitrate salt | explosive;
fertilizer;
oxidising agent |
| 4-mercaptophenylboronic acid | [no description available] | medium | 1 | 0 | | |
| praseodymium | [no description available] | medium | 2 | 0 | f-block element atom;
lanthanoid atom | |
| protoporphyrin ix | [no description available] | medium | 2 | 0 | | |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| neodymium oxide | [no description available] | medium | 2 | 0 | | |
| sulfamethazine | [no description available] | medium | 3 | 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 |
| camptothecin | [no description available] | medium | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| vermiculite | [no description available] | medium | 1 | 0 | | |
| mezlocillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| strontium titanium oxide | [no description available] | medium | 3 | 0 | | |
| arginyl-glycyl-aspartic acid | [no description available] | medium | 3 | 0 | oligopeptide | |
| mustard gas | [no description available] | medium | 2 | 0 | ethyl sulfide;
organochlorine compound | alkylating agent;
carcinogenic agent;
vesicant |
| naproxen | [no description available] | medium | 2 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| casein hydrolysate | [no description available] | medium | 1 | 0 | | |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| sudan iii | [no description available] | medium | 1 | 0 | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye |
| sudan red | [no description available] | medium | 1 | 0 | | |
| poly-n,n-dimethyl-n,n-diallylammonium chloride | [no description available] | medium | 1 | 0 | | |
| safranine t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome;
histological dye |
| boron oxide | [no description available] | medium | 4 | 0 | boron oxide | |
| sodium oxide | [no description available] | medium | 5 | 0 | | |
| diethylzinc | [no description available] | medium | 1 | 0 | | |
| 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 |
| withanolides | [no description available] | medium | 1 | 0 | | |
| cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| pyrimidine dimers | [no description available] | medium | 2 | 0 | | |
| cyanidin | [no description available] | medium | 1 | 0 | 5-hydroxyanthocyanidin | antioxidant;
metabolite;
neuroprotective agent |
| isothiocyanic acid | [no description available] | medium | 1 | 0 | hydracid;
one-carbon compound | |
| diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides;
benzoic acids;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iosulamide | [no description available] | medium | 1 | 0 | | |
| vanadium pentoxide | [no description available] | medium | 3 | 0 | vanadium oxide | |
| benzeneboronic acid | [no description available] | medium | 1 | 0 | boronic acids | |
| aloesin | [no description available] | medium | 1 | 0 | chromones | |
| 2-naphthol orange | [no description available] | medium | 4 | 0 | | |
| styrene | [no description available] | medium | 2 | 0 | styrenes;
vinylarene;
volatile organic compound | mouse metabolite;
mutagen;
plant metabolite |
| carbonates | [no description available] | medium | 22 | 0 | carbon oxoanion | |
| 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 |
| methyl red | [no description available] | medium | 1 | 0 | | |
| gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor |
| ellagic acid | [no description available] | medium | 2 | 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 |
| silver nitrate | [no description available] | medium | 4 | 0 | inorganic nitrate salt;
silver salt | astringent |
| s-nitrosoglutathione | [no description available] | medium | 1 | 0 | glutathione derivative;
nitrosothio compound | bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule |
| carbidopa | [no description available] | medium | 2 | 0 | | |
| cyhalothrin | [no description available] | medium | 1 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| zingerone | [no description available] | medium | 1 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| cystine | [no description available] | medium | 4 | 1 | | |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
| methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
| diuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
| indolebutyric acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | auxin;
plant hormone;
plant metabolite |
| indoleacetic acid | [no description available] | medium | 5 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| rhodamine 6g | [no description available] | medium | 4 | 0 | | |
| allopurinol | [no description available] | medium | 3 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| xanthine | [no description available] | medium | 3 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
| propargylamine | [no description available] | medium | 3 | 0 | | |
| pargyline | [no description available] | medium | 3 | 0 | aromatic amine | |
| cadmium sulfate | [no description available] | medium | 1 | 0 | cadmium salt | |
| n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 3 | 0 | N-substituted diamine;
pyridines;
tertiary amino compound | apoptosis inducer;
chelator;
copper chelator |
| trinitrotoluene | [no description available] | medium | 3 | 0 | trinitrotoluene | explosive |
| oxadiazoles | [no description available] | medium | 1 | 0 | | |
| lead selenide | [no description available] | medium | 2 | 0 | | |
| sodium dodecyl sulfate | [no description available] | medium | 4 | 0 | organic sodium salt | detergent;
protein denaturant |
| molybdenum trioxide | [no description available] | medium | 6 | 0 | molybdenum oxide | |
| direct blue 71 | [no description available] | medium | 3 | 0 | | |
| thioctic acid | [no description available] | medium | 4 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| sodium selenite | [no description available] | medium | 1 | 0 | inorganic sodium salt;
selenite salt | nutraceutical |
| methylcellulose | [no description available] | medium | 7 | 0 | | |
| brilliant orange 3r | [no description available] | medium | 2 | 0 | | |
| beta carotene | [no description available] | medium | 11 | 5 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| choline | [no description available] | medium | 3 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| hydrogen sulfite | [no description available] | medium | 1 | 0 | sulfur oxoanion | human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 2-mercaptoacetate | [no description available] | medium | 2 | 0 | monocarboxylic acid anion | |
| tetradecanoylphorbol acetate | [no description available] | medium | 2 | 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 |
| miconazole | [no description available] | medium | 4 | 3 | dichlorobenzene;
ether;
imidazoles | |
| holmium | [no description available] | medium | 3 | 0 | f-block element atom;
lanthanoid atom | |
| decanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component |
| 1-ethynylpyrene | [no description available] | medium | 1 | 0 | | |
| amylopectin | [no description available] | medium | 1 | 0 | | |
| benzyl alcohol | [no description available] | medium | 4 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
| nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene;
nitrobenzenes | |
| lutein | [no description available] | medium | 2 | 2 | carotenol | food colouring;
plant metabolite |
| zeaxanthin | [no description available] | medium | 2 | 2 | carotenol | antioxidant;
bacterial metabolite;
cofactor |
| tetracyanoquinodimethane | [no description available] | medium | 1 | 0 | alicyclic compound;
nitrile;
quinodimethane | |
| yttria | [no description available] | medium | 7 | 0 | | |
| n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
| 1,2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | phosphatidylcholine(1+) | |
| phosphatidylcholines | [no description available] | medium | 2 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| acid phosphatase | [no description available] | medium | 7 | 0 | | |
| propidium | [no description available] | medium | 6 | 0 | phenanthridines;
quaternary ammonium ion | fluorochrome;
intercalator |
| diisopropanolnitrosamine | [no description available] | medium | 1 | 0 | diol;
nitrosamine;
secondary alcohol | carcinogenic agent |
| losartan potassium | [no description available] | medium | 1 | 0 | | |
| 1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
| ferrous oxide | [no description available] | medium | 4 | 0 | iron oxide | |
| antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| stannic chloride | [no description available] | medium | 1 | 0 | | |
| indoline | [no description available] | medium | 4 | 0 | indoles | |
| benzothiophene | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
benzothiophene | |
| 2-methylimidazole | [no description available] | medium | 2 | 0 | | |
| diethanolamine | [no description available] | medium | 2 | 0 | ethanolamines | human xenobiotic metabolite |
| sodium bicarbonate | [no description available] | medium | 3 | 0 | one-carbon compound;
organic sodium salt | antacid;
food anticaking agent |
| boranes | [no description available] | medium | 1 | 0 | boranes;
mononuclear parent hydride | |
| dimethylamine | [no description available] | medium | 1 | 0 | methylamines;
secondary aliphatic amine | metabolite |
| methylamine | [no description available] | medium | 1 | 0 | methylamines;
one-carbon compound;
primary aliphatic amine | mouse metabolite |
| azides | [no description available] | medium | 3 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| propidium monoazide | [no description available] | medium | 2 | 0 | | |
| dimethyl phosphate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
| dicyanmethane | [no description available] | medium | 2 | 0 | aliphatic nitrile;
dinitrile | |
| diethyl phosphate | [no description available] | medium | 1 | 0 | dialkyl phosphate | human xenobiotic metabolite;
mouse metabolite |
| salicylaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
| chloroform | [no description available] | medium | 9 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| 4-aminobenzoic acid | [no description available] | medium | 3 | 0 | aminobenzoate;
aromatic amino-acid anion | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| pentachlorophenol | [no description available] | medium | 2 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| selenocysteine | [no description available] | medium | 1 | 0 | | |
| serine | [no description available] | medium | 1 | 0 | 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 |
| araldite | [no description available] | medium | 1 | 0 | | |
| resorcinol | [no description available] | medium | 4 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
| phenacetin | [no description available] | medium | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| tellurium dioxide | [no description available] | medium | 4 | 0 | | |
| methyl demeton | [no description available] | medium | 1 | 0 | | |
| trichloroethylene | [no description available] | medium | 2 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| laponite | [no description available] | medium | 1 | 0 | | |
| methyl carbonate | [no description available] | medium | 2 | 0 | carbonate ester | reagent;
solvent |
| methyl tert-butyl ether | [no description available] | medium | 3 | 0 | ether | fuel additive;
metabolite;
non-polar solvent |
| methylmethacrylate | [no description available] | medium | 4 | 0 | enoate ester;
methyl ester | allergen;
polymerisation monomer |
| calcium acetate | [no description available] | medium | 2 | 0 | calcium salt | chelator |
| acridines | [no description available] | medium | 1 | 0 | acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene | genotoxin |
| potassium nitrate | [no description available] | medium | 3 | 1 | inorganic nitrate salt;
potassium salt | fertilizer |
| tert-butyl alcohol | [no description available] | medium | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
| tetraethoxysilane | [no description available] | medium | 5 | 0 | | |
| aluminum oxide hydroxide | [no description available] | medium | 2 | 0 | aluminium hydroxides;
aluminium oxides | |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| thiolactic acid | [no description available] | medium | 1 | 0 | mercaptopropanoic acid | |
| methylene green | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome;
histological dye |
| cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
| zinc silicate | [no description available] | medium | 2 | 0 | | |
| indium nitride | [no description available] | medium | 2 | 0 | | |
| lithium niobate | [no description available] | medium | 4 | 0 | | |
| 2',7'-dichlorodihydrofluorescein diacetate | [no description available] | medium | 1 | 0 | | |
| acetylene | [no description available] | medium | 2 | 0 | alkyne;
gas molecular entity;
terminal acetylenic compound | |
| meldrum's acid | [no description available] | medium | 1 | 0 | | |
| isatin | [no description available] | medium | 1 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| 1-phenylazo-2-naphthol | [no description available] | medium | 1 | 0 | | |
| 2-naphthol | [no description available] | medium | 3 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
| genipin | [no description available] | medium | 1 | 0 | iridoid monoterpenoid | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cross-linking reagent;
hepatotoxic agent;
uncoupling protein inhibitor |
| iridoids | [no description available] | medium | 1 | 0 | | |
| 4,4-dicarboxy-5-pyridoxylproline | [no description available] | medium | 1 | 0 | | |
| cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor |
| feldspar | [no description available] | medium | 6 | 0 | | |
| zirconium phosphate | [no description available] | medium | 1 | 0 | | |
| ethylene | [no description available] | medium | 1 | 0 | alkene;
gas molecular entity | plant hormone;
refrigerant |
| perylenetetracarboxylic diimide | [no description available] | medium | 1 | 0 | | |
| 3-hydroxybutyric acid | [no description available] | medium | 2 | 0 | (omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid | human metabolite |
| beta-hydroxyvaleric acid | [no description available] | medium | 1 | 0 | 3-hydroxy fatty acid;
ketone body;
short-chain fatty acid | |
| glutaminase | [no description available] | medium | 1 | 0 | | |
| formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
| calcimycin | [no description available] | medium | 1 | 0 | benzoxazole | |
| lead sulfide | [no description available] | medium | 6 | 0 | | |
| 2-octanol | [no description available] | medium | 1 | 0 | octanol;
secondary alcohol | plant metabolite;
volatile oil component |
| shinorine | [no description available] | medium | 1 | 0 | | |
| cadmium acetate | [no description available] | medium | 1 | 0 | | |
| thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| sodium persulfate | [no description available] | medium | 2 | 0 | | |
| pyocyanine | [no description available] | medium | 2 | 0 | iminium betaine;
phenazines | antibacterial agent;
bacterial metabolite;
biological pigment;
virulence factor |
| phytic acid | [no description available] | medium | 2 | 1 | inositol phosphate | |
| cobalt phthalocyanine | [no description available] | medium | 1 | 0 | | |
| lithium fluoride | [no description available] | medium | 1 | 0 | | |
| 2,4-dinitrophenol | [no description available] | medium | 1 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
| 2-nitrophenol | [no description available] | medium | 1 | 0 | 2-nitrophenols | |
| aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| methabenzthiazuron | [no description available] | medium | 1 | 0 | benzothiazoles | |
| butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
| tricalcium silicate | [no description available] | medium | 4 | 1 | | |
| carvedilol | [no description available] | medium | 1 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| chlorobenzene | [no description available] | medium | 2 | 0 | monochlorobenzenes | solvent |
| delrin | [no description available] | medium | 1 | 0 | | |
| fibrin | [no description available] | medium | 1 | 0 | peptide | |
| cyclohexane | [no description available] | medium | 1 | 0 | cycloalkane;
volatile organic compound | non-polar solvent |
| antimony | [no description available] | medium | 9 | 0 | metalloid atom;
pnictogen | |
| dibenzothiazyl disulfide | [no description available] | medium | 1 | 0 | benzothiazoles;
organic disulfide | allergen |
| 1-pyrenebutyrate | [no description available] | medium | 2 | 0 | | |
| direct blue 15 | [no description available] | medium | 1 | 0 | | |
| dapi | [no description available] | medium | 2 | 0 | indoles | fluorochrome |
| picloram | [no description available] | medium | 1 | 0 | aminopyridine;
chloropyridine;
organochlorine pesticide;
pyridinemonocarboxylic acid | herbicide;
synthetic auxin |
| terbium | [no description available] | medium | 3 | 0 | f-block element atom;
lanthanoid atom | |
| glycidyl methacrylate | [no description available] | medium | 1 | 0 | enoate ester;
epoxide | |
| zinc protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
| nitrous oxide | [no description available] | medium | 2 | 0 | gas molecular entity;
nitrogen oxide | analgesic;
bacterial metabolite;
food packaging gas;
food propellant;
general anaesthetic;
greenhouse gas;
inhalation anaesthetic;
NMDA receptor antagonist;
raising agent;
refrigerant;
vasodilator agent |
| palmitic acid | [no description available] | medium | 3 | 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 |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| evans blue | [no description available] | medium | 2 | 0 | organic sodium salt | fluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent |
| cyclopentane | [no description available] | medium | 2 | 0 | cycloalkane;
cyclopentanes;
volatile organic compound | non-polar solvent |
| limonene | [no description available] | medium | 1 | 0 | cycloalkene;
p-menthadiene | human metabolite |
| eucalyptol | [no description available] | medium | 1 | 0 | | |
| pulegone | [no description available] | medium | 1 | 0 | p-menth-4(8)-en-3-one | |
| caryophyllene oxide | [no description available] | medium | 1 | 0 | epoxide | metabolite |
| cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
| dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides;
monocarboxylic acid amide | human metabolite |
| magnesium sulfate | [no description available] | medium | 1 | 0 | magnesium salt;
metal sulfate;
organic magnesium salt | anaesthetic;
analgesic;
anti-arrhythmia drug;
anticonvulsant;
calcium channel blocker;
cardiovascular drug;
fertilizer;
tocolytic agent |
| ascorbate-2-phosphate | [no description available] | medium | 1 | 0 | aldonolactone phosphate | |
| ascorbic acid 2-o-glucoside | [no description available] | medium | 1 | 0 | glycoside | |
| chlorine | [no description available] | medium | 3 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
| rhamnose | [no description available] | medium | 1 | 0 | L-rhamnose | |
| brass | [no description available] | medium | 3 | 0 | | |
| tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| dinoprostone | [no description available] | medium | 2 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| sodium nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt;
inorganic sodium salt | fertilizer;
NMR chemical shift reference compound |
| epidermal growth factor | [no description available] | medium | 1 | 0 | | |
| cyanuric acid | [no description available] | medium | 1 | 0 | 1,3,5-triazinanes;
1,3,5-triazines;
heteroaryl hydroxy compound | xenobiotic |
| betalains | [no description available] | medium | 1 | 0 | | |
| amaranth dye | [no description available] | medium | 2 | 0 | | |
| barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom;
elemental barium | |
| sodium citrate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | anticoagulant;
flavouring agent |
| anabasine | [no description available] | medium | 1 | 0 | anabasine | |
| levanol fast cyanine 5rn | [no description available] | medium | 3 | 0 | | |
| 2-toluidine | [no description available] | medium | 1 | 0 | aminotoluene | carcinogenic agent |
| ethidium | [no description available] | medium | 2 | 0 | phenanthridines | fluorochrome;
intercalator |
| neopterin | [no description available] | medium | 1 | 0 | | |
| flubendiamide | [no description available] | medium | 1 | 0 | organofluorine insecticide | ryanodine receptor modulator |
| furanone c-30 | [no description available] | medium | 1 | 0 | | |
| triethoxysilane | [no description available] | medium | 2 | 0 | | |
| 4-anisyltetrazolium blue | [no description available] | medium | 1 | 0 | organic chloride salt | dye |
| eicosapentaenoic acid | [no description available] | medium | 1 | 1 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| thorium | [no description available] | medium | 1 | 0 | actinoid atom;
f-block element atom | |
| dimethoate | [no description available] | medium | 2 | 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 |
| calcium phosphate, dibasic, dihydrate | [no description available] | medium | 1 | 0 | calcium salt;
hydrate | |
| 11-mercaptoundecanoic acid | [no description available] | medium | 1 | 0 | | |
| maleic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride;
furans | allergen |
| hexachloroethane | [no description available] | medium | 8 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
| ethane | [no description available] | medium | 8 | 0 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
| docusate | [no description available] | medium | 1 | 0 | diester;
organosulfonic acid | |
| cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles | antibacterial drug |
| triethanolamine | [no description available] | medium | 3 | 0 | amino alcohol;
tertiary amino compound;
triol | buffer;
surfactant |
| soda lime | [no description available] | medium | 2 | 0 | | |
| morin | [no description available] | medium | 1 | 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 |
| mtt formazan | [no description available] | medium | 1 | 0 | | |
| formazans | [no description available] | medium | 1 | 0 | | |
| tetramethylenedisulfotetramine | [no description available] | medium | 1 | 0 | | |
| oxalates | [no description available] | medium | 4 | 0 | | |
| dibutylaminosulfenylcarbofuran | [no description available] | medium | 1 | 0 | 1-benzofurans;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
nematicide |
| cellulase | [no description available] | medium | 2 | 0 | cellotriose | |
| 3-(trimethoxysilyl)propylamine | [no description available] | medium | 1 | 0 | | |
| 1-naphthol | [no description available] | medium | 2 | 0 | naphthol | genotoxin;
human xenobiotic metabolite |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| delphinidin | [no description available] | medium | 2 | 0 | anthocyanidin chloride | |
| zircon | [no description available] | medium | 1 | 0 | | |
| norflurazone | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
organochlorine compound;
pyridazinone;
secondary amino compound | agrochemical;
carotenoid biosynthesis inhibitor;
herbicide |
| geranyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
monoterpenoid | plant metabolite |
| helium | [no description available] | medium | 2 | 0 | monoatomic helium;
noble gas atom;
s-block element atom | food packaging gas |
| pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
| cephalosporin c | [no description available] | medium | 1 | 0 | cephalosporin | fungal metabolite |
| gold tetrachloride, acid | [no description available] | medium | 1 | 0 | | |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| as 1411 | [no description available] | medium | 1 | 0 | | |
| caffeic acid | [no description available] | medium | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
| jasmonic acid | [no description available] | medium | 1 | 0 | oxo monocarboxylic acid | jasmonates;
plant metabolite |
| abscisic acid | [no description available] | medium | 1 | 0 | 2-trans-abscisic acid | |
| acetosulfame | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
sulfamate ester | environmental contaminant;
sweetening agent;
xenobiotic |
| chrysene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene | plant metabolite |
| fluoranthene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| 2-chlorophenol | [no description available] | medium | 4 | 0 | 2-halophenol;
monochlorophenol | |
| methyl parathion | [no description available] | medium | 1 | 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 |
| benzyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester;
benzyl ester | acaricide;
plant metabolite;
scabicide |
| benzyl cinnamate | [no description available] | medium | 1 | 0 | cinnamate ester | antigen;
epitope;
fixative;
flavouring agent;
fragrance |
| 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 |
| oligonucleotides | [no description available] | medium | 2 | 0 | | |
| basic red 46 | [no description available] | medium | 1 | 0 | | |
| steviol | [no description available] | medium | 1 | 0 | bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid | antineoplastic agent |
| glycosides | [no description available] | medium | 2 | 0 | | |
| lauric acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite |
| carbonic acid | [no description available] | medium | 2 | 0 | carbon oxoacid;
chalcocarbonic acid | mouse metabolite |
| phytochlorin | [no description available] | medium | 1 | 0 | | |
| ammonium hydroxide | [no description available] | medium | 2 | 0 | inorganic hydroxy compound | food acidity regulator |
| brombuterol | [no description available] | medium | 1 | 0 | | |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
| sodium metasilicate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
| uranium | [no description available] | medium | 2 | 0 | actinoid atom;
f-block element atom;
monoatomic uranium | |
| thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| trichlorosilane | [no description available] | medium | 1 | 0 | | |
| titanium phosphate | [no description available] | medium | 1 | 0 | | |
| cilastatin | [no description available] | medium | 1 | 0 | carboxamide;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid;
organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor;
environmental contaminant;
protease inhibitor;
xenobiotic |
| cilastatin, imipenem drug combination | [no description available] | medium | 1 | 0 | | |
| acetovanillone | [no description available] | medium | 1 | 0 | acetophenones;
aromatic ketone;
methyl ketone | antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor;
fundamental metabolite |
| diphenyleneiodonium | [no description available] | medium | 1 | 0 | organic cation | |
| boron | [no description available] | medium | 3 | 0 | boron group element atom;
metalloid atom;
nonmetal atom | micronutrient |
| amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| thioflavin t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome;
geroprotector;
histological dye |
| neutral red | [no description available] | medium | 2 | 0 | hydrochloride | acid-base indicator;
dye;
two-colour indicator |
| maltodextrin | [no description available] | medium | 1 | 0 | | |
| thapsigargin | [no description available] | medium | 2 | 0 | butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone | calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
| hexamethyldisiloxane | [no description available] | medium | 4 | 0 | organosiloxane | |
| potassium thiocyanate | [no description available] | medium | 1 | 0 | potassium salt | |
| tartaric acid | [no description available] | medium | 2 | 0 | tartaric acid | Escherichia coli metabolite |
| prisma-fil | [no description available] | medium | 2 | 0 | | |
| 1-butene | [no description available] | medium | 1 | 0 | butene | |
| vanadates | [no description available] | medium | 2 | 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 |
| bismuth orthovanadate | [no description available] | medium | 1 | 0 | | |
| 3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid | |
| 8-oxo-2'-deoxyadenosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside | |
| aminolevulinic acid | [no description available] | medium | 1 | 0 | 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 |
| d.c. red no. 33 | [no description available] | medium | 3 | 0 | | |
| picric acid | [no description available] | medium | 1 | 0 | C-nitro compound | antiseptic drug;
explosive;
fixative |
| 2,6-dinitrotoluene | [no description available] | medium | 1 | 0 | dinitrotoluene | genotoxin |
| dinitrobenzenes | [no description available] | medium | 1 | 0 | | |
| gamma-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid;
omega-6 fatty acid | human metabolite;
mouse metabolite;
plant metabolite |
| tungsten carbide | [no description available] | medium | 2 | 0 | | |
| gallium arsenide | [no description available] | medium | 3 | 0 | | |
| sarin | [no description available] | medium | 1 | 0 | fluorine molecular entity;
phosphinic ester | |
| zn(ii)-phthalocyanine | [no description available] | medium | 2 | 0 | metallophthalocyanine;
zinc tetrapyrrole | fluorochrome |
| tetramethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
| leucine | [no description available] | medium | 2 | 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 |
| ferrous lactate | [no description available] | medium | 1 | 0 | lactate salt | |
| ferrous sulfate | [no description available] | medium | 3 | 2 | iron molecular entity;
metal sulfate | reducing agent |
| phosphoric acid, trisodium salt | [no description available] | medium | 1 | 0 | sodium phosphate | |
| nile red | [no description available] | medium | 1 | 0 | aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound | fluorochrome;
histological dye |
| fenton's reagent | [no description available] | medium | 3 | 0 | | |
| niacin | [no description available] | medium | 2 | 1 | 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 |
| retinol palmitate | [no description available] | medium | 2 | 1 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| bromine | [no description available] | medium | 3 | 0 | diatomic bromine | |
| fluorescein | [no description available] | medium | 3 | 0 | 2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye | fluorescent dye;
radioopaque medium |
| hydroxide ion | [no description available] | medium | 2 | 0 | oxygen hydride | mouse metabolite |
| fast red s | [no description available] | medium | 2 | 0 | | |
| ethylenediamine | [no description available] | medium | 3 | 0 | alkane-alpha,omega-diamine | GABA agonist |
| cupric glycinate | [no description available] | medium | 1 | 0 | | |
| pantothenic acid | [no description available] | medium | 3 | 2 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
| phosphorus pentoxide | [no description available] | medium | 4 | 0 | | |
| bemotrizinol | [no description available] | medium | 2 | 0 | methoxybenzenes | |
| trichloroacetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| cloxacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug |
| 1,6-hexanedithiol | [no description available] | medium | 1 | 0 | alkanethiol | |
| tetrabutylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
| polidocanol | [no description available] | medium | 1 | 0 | hydroxypolyether | hepatotoxic agent;
nonionic surfactant;
sclerotherapy agent |
| n-heptane | [no description available] | medium | 2 | 0 | alkane;
volatile organic compound | non-polar solvent;
plant metabolite |
| lead acetate, basic | [no description available] | medium | 1 | 0 | | |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| neptunium | [no description available] | medium | 1 | 0 | actinoid atom;
f-block element atom | |
| 1-(2-methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene | [no description available] | medium | 2 | 0 | | |
| chlorpheniramine | [no description available] | medium | 1 | 1 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor |
| sorbitan monooleate | [no description available] | medium | 1 | 0 | fatty acid ester | |
| galactose | [no description available] | medium | 1 | 0 | | |
| sultan | [no description available] | medium | 12 | 1 | sulfonamide | |
| guanidine | [no description available] | medium | 2 | 0 | carboxamidine;
guanidines;
one-carbon compound | |
| argon | [no description available] | medium | 2 | 0 | monoatomic argon;
noble gas atom;
p-block element atom | food packaging gas;
neuroprotective agent |
| 2-(dimethylamino)ethyl methacrylate | [no description available] | medium | 1 | 0 | | |
| sodium sulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
| terephthalate | [no description available] | medium | 1 | 0 | dicarboxylic acid dianion | |
| tytin | [no description available] | medium | 4 | 0 | | |
| alizarine yellow g | [no description available] | medium | 2 | 0 | | |
| camphor, (+-)-isomer | [no description available] | medium | 17 | 2 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
| camphorated parachlorophenol | [no description available] | medium | 10 | 0 | | |
| rifamycins | [no description available] | medium | 2 | 0 | | |
| pentacene | [no description available] | medium | 2 | 0 | acene;
pentacenes | |
| phenylephrine | [no description available] | medium | 2 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
| dodecylamine | [no description available] | medium | 2 | 0 | primary aliphatic amine | |
| cesium carbonate | [no description available] | medium | 2 | 0 | | |
| ledermix | [no description available] | medium | 7 | 1 | | |
| demeclocycline | [no description available] | medium | 7 | 1 | | |
| gallium nitrate | [no description available] | medium | 2 | 0 | | |
| procion blue mx-r | [no description available] | medium | 1 | 0 | | |
| magnesium trisilicate | [no description available] | medium | 1 | 0 | | |
| mordenite | [no description available] | medium | 1 | 0 | | |
| methyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent |
| dimethyl ether | [no description available] | medium | 1 | 0 | ether | |
| aluminum nitride | [no description available] | medium | 5 | 0 | nitride | |
| menthol | [no description available] | medium | 5 | 1 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| clobetasone butyrate | [no description available] | medium | 1 | 1 | organic molecular entity | |
| clobetasol | [no description available] | medium | 2 | 1 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
SMO receptor agonist |
| silicon carbide | [no description available] | medium | 5 | 0 | organosilicon compound | |
| triiodothyronine, reverse | [no description available] | medium | 1 | 0 | 3,3',5'-triiodothyronine;
amino acid zwitterion | |
| eosine i bluish | [no description available] | medium | 1 | 0 | organic sodium salt | fluorescent dye;
histological dye |
| phosphotyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine | Escherichia coli metabolite;
immunogen |
| 2-mercaptobenzoxazole | [no description available] | medium | 1 | 0 | benzoxazole | |
| benzoxazoles | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
mancude organic heterobicyclic parent | |
| dapsone | [no description available] | medium | 2 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| prednisone | [no description available] | medium | 2 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| cyhalofop-butyl | [no description available] | medium | 1 | 0 | aromatic ether | |
| pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid;
pyrrolopyrimidine | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
| bromthymol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
polyphenol;
sultone | acid-base indicator;
dye;
two-colour indicator |
| allyl isothiocyanate | [no description available] | medium | 1 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
| dimethyl phthalate | [no description available] | medium | 1 | 0 | diester;
methyl ester;
phthalate ester | |
| dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organochlorine compound | astringent;
marine metabolite |
| azobis(isobutyronitrile) | [no description available] | medium | 2 | 0 | | |
| urethane acrylate | [no description available] | medium | 3 | 0 | | |
| hydrofluoric acid | [no description available] | medium | 1 | 0 | hydrogen halide;
mononuclear parent hydride | NMR chemical shift reference compound |
| aniline | [no description available] | medium | 2 | 0 | anilines;
primary arylamine | |
| zirconium diboride | [no description available] | medium | 1 | 0 | | |
| copper oxychloride | [no description available] | medium | 1 | 1 | | |
| 1,2-diaminopropane | [no description available] | medium | 1 | 0 | diamine | ligand |
| 2-hydroxy-5-methoxybenzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | |
| 2-vanillin | [no description available] | medium | 1 | 0 | benzaldehydes;
guaiacols | antimutagen;
plant metabolite |
| stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
| imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| tetracarboxyphenylporphine | [no description available] | medium | 1 | 0 | | |
| isobutylene | [no description available] | medium | 1 | 0 | alkene;
gas molecular entity | |
| n-methylpyrrolidine | [no description available] | medium | 1 | 0 | | |
| arsenic trioxide | [no description available] | medium | 1 | 0 | | |
| pyoverdin | [no description available] | medium | 1 | 0 | | |
| triolein | [no description available] | medium | 1 | 0 | triglyceride | Caenorhabditis elegans metabolite;
plant metabolite |
| surfactin peptide | [no description available] | medium | 1 | 0 | | |
| cyprodinil | [no description available] | medium | 1 | 0 | aminopyrimidine;
anilinopyrimidine fungicide;
cyclopropanes;
secondary amino compound | antifungal agrochemical;
aryl hydrocarbon receptor agonist;
environmental contaminant;
xenobiotic |
| fludioxonil | [no description available] | medium | 1 | 0 | benzodioxoles;
nitrile;
organofluorine compound;
pyrroles | androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist |
| coenzyme f420 | [no description available] | medium | 1 | 0 | | |
| potassium carbonate | [no description available] | medium | 1 | 0 | carbonate salt;
potassium salt | catalyst;
fertilizer;
flame retardant |
| sulfur monoxide | [no description available] | medium | 1 | 0 | sulfur oxide | |
| phosphonic acid | [no description available] | medium | 1 | 0 | | |
| c & b metabond | [no description available] | medium | 11 | 2 | | |
| pyrazon | [no description available] | medium | 1 | 0 | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic |
| malathion | [no description available] | medium | 1 | 0 | diester;
ethyl ester;
organic thiophosphate | |
| potassium permanganate | [no description available] | medium | 3 | 0 | | |
| pederin | [no description available] | medium | 1 | 0 | cyclic ketal;
diol;
oxanes;
polyketide;
secondary alcohol;
secondary carboxamide | antimitotic;
antineoplastic agent;
bacterial metabolite;
vesicant |
| fluocinolone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
| hydrocodone | [no description available] | medium | 1 | 1 | morphinane-like compound;
organic heteropentacyclic compound | antitussive;
mu-opioid receptor agonist;
opioid analgesic |
| sulfur dioxide | [no description available] | medium | 9 | 0 | sulfur oxide | Escherichia coli metabolite;
food bleaching agent;
refrigerant |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| dimethyl methylphosphonate | [no description available] | medium | 1 | 0 | | |
| n-isopropylacrylamide | [no description available] | medium | 2 | 0 | | |
| indoleacetamide | [no description available] | medium | 1 | 0 | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite |
| cilostazol | [no description available] | medium | 1 | 0 | lactam;
tetrazoles | anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine | [no description available] | medium | 2 | 0 | 2-arylethylamine | |
| potassium titanylphosphate | [no description available] | medium | 1 | 0 | | |
| goethite | [no description available] | medium | 1 | 0 | | |
| gamma-glycidoxypropyltrimethoxysilane | [no description available] | medium | 1 | 0 | | |
| phenylhydrazine | [no description available] | medium | 1 | 0 | phenylhydrazines | xenobiotic |
| all-bond 2 | [no description available] | medium | 3 | 0 | | |
| cyanine dye 3 | [no description available] | medium | 1 | 0 | | |
| 1,7-diaminoheptane | [no description available] | medium | 1 | 0 | | |
| isocoumarins | [no description available] | medium | 1 | 0 | isocoumarins | |
| 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 |
| trimethylamine | [no description available] | medium | 1 | 0 | methylamines;
tertiary amine | Escherichia coli metabolite;
human xenobiotic metabolite |
| phenoxy radical | [no description available] | medium | 1 | 0 | organic radical | |
| heme | [no description available] | medium | 1 | 0 | | |
| 2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
| octadecylsilane | [no description available] | medium | 1 | 0 | | |
| 1-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | human xenobiotic metabolite |
| copper indium diselenide | [no description available] | medium | 1 | 0 | | |
| valine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| fructosylvaline | [no description available] | medium | 1 | 0 | | |
| 6-aminouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
| pentane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
| diglycyl-histidine | [no description available] | medium | 1 | 0 | oligopeptide | |
| n-octanethiol | [no description available] | medium | 1 | 0 | alkanethiol | |
| dexketoprofen trometamol | [no description available] | medium | 1 | 0 | | |
| dilactide | [no description available] | medium | 1 | 0 | dioxanes | |
| lynestrenol | [no description available] | medium | 1 | 0 | steroid | |
| potassium oxide | [no description available] | medium | 2 | 0 | metal oxide;
potassium salt | |
| 1,2-ethanedithiol | [no description available] | medium | 1 | 0 | | |
| mercaptoethanol | [no description available] | medium | 1 | 0 | alkanethiol;
primary alcohol | geroprotector |
| pyridine | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
| benzo-1,2,3-thiadiazole | [no description available] | medium | 1 | 0 | | |
| titanium tetrachloride | [no description available] | medium | 1 | 0 | | |
| copper phthalocyanine | [no description available] | medium | 1 | 0 | | |
| oxazoles | [no description available] | medium | 2 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| sodium hypophosphite | [no description available] | medium | 1 | 0 | | |
| reactive red 120 dye | [no description available] | medium | 1 | 0 | azobenzenes;
bis(azo) compound;
chloro-1,3,5-triazine;
diamino-1,3,5-triazine;
naphthalenesulfonic acid | dye |
| lanthanum chloride | [no description available] | medium | 1 | 0 | | |
| 2-ethylimidazole | [no description available] | medium | 2 | 0 | | |
| anthracene | [no description available] | medium | 1 | 0 | acene;
anthracenes;
ortho-fused tricyclic hydrocarbon | |
| hippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | human blood serum metabolite;
uremic toxin |
| ferric hydroxide | [no description available] | medium | 1 | 0 | | |
| 4-hydroxybenzophenone | [no description available] | medium | 1 | 0 | benzophenones | |
| 2-ketogluconate | [no description available] | medium | 1 | 0 | keto-D-gluconic acid | bacterial metabolite |
| pimagedine | [no description available] | medium | 1 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| pyridoxal | [no description available] | medium | 1 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| molybdate ion | [no description available] | medium | 2 | 1 | divalent inorganic anion;
molybdenum oxoanion | Escherichia coli metabolite |
| 4-methacryloxyethyltrimellitic acid anhydride | [no description available] | medium | 2 | 1 | | |
| 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2h-tetrazolium hydroxide | [no description available] | medium | 1 | 0 | | |
| tropolone | [no description available] | medium | 2 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin |
| beta-thujaplicin | [no description available] | medium | 2 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
| merbromin | [no description available] | medium | 1 | 0 | | |
| ethacridine | [no description available] | medium | 2 | 0 | acridines | |
| allyl alcohol | [no description available] | medium | 1 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| zineb | [no description available] | medium | 1 | 0 | dithiocarbamate salt;
macromolecule;
zinc coordination entity | antifungal agrochemical |
| propineb | [no description available] | medium | 1 | 0 | dithiocarbamate salt;
macromolecule;
zinc coordination entity | antifungal agrochemical |
| fumaric acid | [no description available] | medium | 1 | 0 | butenedioic acid | food acidity regulator;
fundamental metabolite;
geroprotector |
| fumarates | [no description available] | medium | 1 | 0 | butenedioate;
C4-dicarboxylate | human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite |
| trioctyl phosphine oxide | [no description available] | medium | 2 | 0 | | |
| chitotriose | [no description available] | medium | 1 | 0 | | |
| phosphamidon | [no description available] | medium | 1 | 0 | | |
| procaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline;
tertiary amino compound | central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug |
| formocresol | [no description available] | medium | 7 | 0 | | |
| pyrithione | [no description available] | medium | 1 | 0 | monohydroxypyridine;
pyridinethione | ionophore |
| plutonium | [no description available] | medium | 1 | 0 | actinoid atom;
f-block element atom | |
| mercuric chloride | [no description available] | medium | 1 | 0 | mercury coordination entity | sensitiser |
| halothane | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| potassium chloride | [no description available] | medium | 4 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
| cupferron | [no description available] | medium | 1 | 0 | | |
| urushiol | [no description available] | medium | 1 | 0 | | |
| carbamide peroxide | [no description available] | medium | 3 | 0 | mixture | disinfectant;
oxidising agent;
reagent |
| deet | [no description available] | medium | 1 | 0 | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic |
| silicate cement | [no description available] | medium | 11 | 0 | | |
| lawsone | [no description available] | medium | 1 | 0 | | |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| unithiol | [no description available] | medium | 1 | 0 | | |
| carboxyl radical | [no description available] | medium | 1 | 0 | carbon oxide;
organic radical anion | xenobiotic metabolite |
| illite | [no description available] | medium | 1 | 0 | | |
| flavin-adenine dinucleotide | [no description available] | medium | 1 | 0 | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group |
| niflumic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
pyridines | |
| bafilomycin a1 | [no description available] | medium | 1 | 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 |
| sodium sulfide | [no description available] | medium | 1 | 0 | | |
| zinquin | [no description available] | medium | 1 | 0 | | |
| beryllium | [no description available] | medium | 1 | 0 | alkaline earth metal atom;
elemental beryllium;
metal allergen | adjuvant;
carcinogenic agent;
epitope |
| simethicone | [no description available] | medium | 4 | 1 | | |
| pramoxine | [no description available] | medium | 1 | 0 | aromatic ether;
morpholines | local anaesthetic |
| benzophenone | [no description available] | medium | 1 | 0 | benzophenones | photosensitizing agent;
plant metabolite |
| succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid | chelator |
| methoxsalen | [no description available] | medium | 2 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| 2-imidazoline | [no description available] | medium | 1 | 0 | imidazolines | |
| ammonium carbonate | [no description available] | medium | 1 | 0 | | |
| colforsin | [no description available] | medium | 1 | 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 |
| ferrous gluconate | [no description available] | medium | 1 | 1 | | |
| 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 |
| glycyl-histidyl-lysine | [no description available] | medium | 1 | 1 | tripeptide | chelator;
hepatoprotective agent;
metabolite;
vulnerary |
| dexpanthenol | [no description available] | medium | 2 | 2 | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin |
| pyranine | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome |
| ziprasidone | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines | antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist |
| trientine | [no description available] | medium | 1 | 0 | polyazaalkane;
tetramine | copper chelator |
| hydrochloric acid | [no description available] | medium | 3 | 0 | chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride | mouse metabolite |
| tellurous acid | [no description available] | medium | 2 | 0 | tellurium oxoacid | |
| meldola blue | [no description available] | medium | 1 | 0 | | |
| rhenium | [no description available] | medium | 1 | 0 | manganese group element atom | |
| osmium | [no description available] | medium | 1 | 0 | iron group element atom;
platinum group metal atom | |
| 4-chlorocatechol | [no description available] | medium | 1 | 0 | chlorocatechol;
monochlorobenzenes | bacterial xenobiotic metabolite |
| 5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 1 | 0 | 1-pyrroline nitrones | neuroprotective agent;
spin trapping reagent |
| octyl dimethyl 4-aminobenzoic acid | [no description available] | medium | 1 | 0 | | |
| ebastine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| potassium fluoride | [no description available] | medium | 1 | 0 | fluoride salt;
potassium salt | NMR chemical shift reference compound;
poison |
| tripropylene glycol diacrylate | [no description available] | medium | 1 | 0 | | |
| sodium nitrite | [no description available] | medium | 1 | 0 | inorganic sodium salt;
nitrite salt | antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison |
| aminopropionitrile | [no description available] | medium | 1 | 0 | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| beta-aminopropionitrile fumarate | [no description available] | medium | 1 | 0 | | |
| osmium tetroxide | [no description available] | medium | 4 | 0 | osmium coordination entity | fixative;
histological dye;
oxidising agent;
poison |
| anthralin | [no description available] | medium | 3 | 1 | anthracenes | antipsoriatic |
| benzoyl peroxide | [no description available] | medium | 3 | 1 | carbonyl compound | |
| chiniofon | [no description available] | medium | 5 | 0 | | |
| clioquinol | [no description available] | medium | 3 | 0 | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator |
| 2,4,6-tribromophenol | [no description available] | medium | 1 | 0 | bromophenol | environmental contaminant;
fungicide;
marine metabolite |
| fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| 2-ethoxybenzoic acid | [no description available] | medium | 1 | 0 | | |
| theophylline | [no description available] | medium | 1 | 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 |
| fenvalerate | [no description available] | medium | 1 | 0 | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide |
| benzydamine | [no description available] | medium | 1 | 0 | aromatic ether;
indazoles;
tertiary amino compound | analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug |
| isobutyl acetate | [no description available] | medium | 1 | 0 | acetate ester | Saccharomyces cerevisiae metabolite |
| triamcinolone | [no description available] | medium | 1 | 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 |
| eusol | [no description available] | medium | 1 | 1 | | |
| chlorphentermine | [no description available] | medium | 1 | 0 | amphetamines | |
| calcium phosphate, dibasic, anhydrous | [no description available] | medium | 6 | 0 | calcium phosphate | |
| calcium phosphate, monobasic, anhydrous | [no description available] | medium | 6 | 0 | calcium phosphate | fertilizer |
| calcium pyrophosphate | [no description available] | medium | 6 | 0 | | |
| pituitrin | [no description available] | medium | 1 | 0 | | |
| diazinon | [no description available] | medium | 1 | 0 | organic thiophosphate;
pyrimidines | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic |
| benzethonium | [no description available] | medium | 3 | 2 | alkylbenzene | |
| sybraloy | [no description available] | medium | 1 | 0 | | |
| padimate-o | [no description available] | medium | 1 | 0 | benzoate ester | |
| cryolite | [no description available] | medium | 1 | 0 | inorganic sodium salt;
perfluorometallate salt | |
| new true dentalloy | [no description available] | medium | 3 | 0 | | |
| levamisole | [no description available] | medium | 1 | 1 | 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 |
| pyridoxine | [no description available] | medium | 1 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| aldrin | [no description available] | medium | 1 | 0 | | |
| f21 | [no description available] | medium | 2 | 0 | | |
| abietic acid | [no description available] | medium | 4 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
| isostearate | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid | |
| biomer | [no description available] | medium | 2 | 0 | | |
| npg-gma | [no description available] | medium | 1 | 0 | | |
| prochloraz | [no description available] | medium | 1 | 0 | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| fluorapatite | [no description available] | medium | 1 | 0 | | |
| 2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
| 2-amino-5-phosphonovalerate | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
| cgp 39653 | [no description available] | medium | 1 | 0 | | |
| desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| methylmercaptan | [no description available] | medium | 1 | 0 | alkanethiol | human metabolite;
Saccharomyces cerevisiae metabolite |
| dimethyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | algal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite |
| gallium chloride | [no description available] | medium | 1 | 0 | | |
| indium trichloride | [no description available] | medium | 1 | 0 | | |
| cresatin | [no description available] | medium | 2 | 0 | benzoate ester;
phenols | |
| potassium iodide | [no description available] | medium | 1 | 0 | potassium salt | expectorant;
radical scavenger |
| manoalide | [no description available] | medium | 1 | 0 | butenolide;
lactol;
sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite |
| lead tetroxide | [no description available] | medium | 1 | 0 | | |
| valiant phd | [no description available] | medium | 1 | 0 | | |
| 1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
| gluma | [no description available] | medium | 4 | 0 | | |
| etretinate | [no description available] | medium | 1 | 0 | enoate ester;
ethyl ester;
retinoid | keratolytic drug |
| chloroxylenol | [no description available] | medium | 1 | 1 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| lead radioisotopes | [no description available] | medium | 1 | 0 | | |
| methyl oleate | [no description available] | medium | 1 | 0 | fatty acid methyl ester | |
| silicon nitride | [no description available] | medium | 1 | 0 | | |
| procion brilliant red m-2bs | [no description available] | medium | 1 | 0 | | |
| alcian blue | [no description available] | medium | 1 | 0 | | |
| acid green 16 | [no description available] | medium | 1 | 0 | | |
| azure b | [no description available] | medium | 1 | 0 | | |
| brimonidine tartrate | [no description available] | medium | 1 | 0 | | |
| calcitriol | [no description available] | medium | 1 | 0 | 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 |
| calcipotriene | [no description available] | medium | 1 | 0 | hydrate | antipsoriatic |
| quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| peracetic acid | [no description available] | medium | 1 | 0 | a peroxy acid | disinfectant;
oxidising agent |
| 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 |
| phenelzine | [no description available] | medium | 1 | 0 | primary amine | |
| digitoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| sodium pertechnetate tc 99m | [no description available] | medium | 1 | 1 | | |
| sodium sulfite | [no description available] | medium | 2 | 0 | inorganic sodium salt;
sulfite salt | food preservative;
reducing agent |
| dehydroabietic acid | [no description available] | medium | 2 | 0 | abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid | allergen;
metabolite |
| povidone-iodine | [no description available] | medium | 1 | 1 | | |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| thromboxane b2 | [no description available] | medium | 1 | 0 | thromboxanes B | human metabolite;
mouse metabolite |
| 3-acryloyloxypropionic acid | [no description available] | medium | 1 | 0 | | |
| bucrylate | [no description available] | medium | 1 | 0 | | |
| nitrofurazone | [no description available] | medium | 1 | 0 | | |
| 4-ipomeanol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| perilla ketone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| benzocaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| egg white | [no description available] | medium | 5 | 0 | | |
| trazodone hydrochloride | [no description available] | medium | 55 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| sabinene | [no description available] | medium | 7 | 0 | thujene | plant metabolite |
| zinc oxide | Diaper Rash: A type of irritant dermatitis localized to the area in contact with a diaper and occurring most often as a reaction to prolonged contact with urine, feces, or retained soap or detergent. | medium | 26 | 8 | | |
| glyphosate | [no description available] | medium | 3 | 0 | glycine derivative;
phosphonic acid | agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide |
| nsc 4347 | [no description available] | medium | 2 | 0 | | |
| fusarium | [no description available] | medium | 8 | 0 | | |
| cinidon-ethyl | [no description available] | medium | 2 | 0 | ethyl ester;
isoindoles;
monochlorobenzenes | herbicide |
| cucurbitaceae | [no description available] | medium | 3 | 0 | | |
| isomethyleugenol | [no description available] | medium | 2 | 1 | isomethyleugenol | |
| enerbol | [no description available] | medium | 1 | 0 | | |
| 3,7-dimethyl-7-octen-1-ol | [no description available] | medium | 1 | 0 | | |
| rebaudioside a | [no description available] | medium | 2 | 0 | beta-D-glucoside;
rebaudioside;
tetracyclic diterpenoid | sweetening agent |
| rosmarinic acid | [no description available] | medium | 1 | 0 | rosmarinic acid | geroprotector;
plant metabolite |
| humulene | [no description available] | medium | 2 | 1 | alpha-humulene | |
| arctiin | [no description available] | medium | 1 | 0 | glycoside;
lignan | |
| cetylpyridinium chloride anhydrous | [no description available] | medium | 1 | 0 | chloride salt;
organic chloride salt | antiseptic drug;
surfactant |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound | antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic |
| ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | geroprotector;
plant metabolite |
| aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| eye | [no description available] | medium | 4 | 0 | | |
| vendex | [no description available] | medium | 7 | 0 | organotin acaricide | |
| fenoxycarb | [no description available] | medium | 2 | 0 | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic |
| ants | [no description available] | medium | 2 | 1 | | |
| calendula | [no description available] | medium | 1 | 0 | | |
| ziram | [no description available] | low | 0 | 0 | dithiocarbamate salt;
zinc molecular entity | antifungal agrochemical;
apoptosis inducer |
| zinc dibutyldithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamate salt;
zinc molecular entity | antifungal agrochemical |