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It derives from a hydride of a stigmastane. | 17-(5-Ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is a steroid. | 0 |
It is an organic heteropentacyclic compound and an organosulfur heterocyclic compound. | 6,12-dimethyldibenzo[d,d']benzo[1,2-b:4,5-b']bisthiophene is an organic heteropentacyclic compound that is p-xylene in which the 2-3 and 5-6 bonds of the benzene ring have each been fused with the b edge of a benzothiophene moiety. | 0 |
It is a conjugate base of a 2,7-dibromo-4-hydroxymercurifluorescein. | 2,7-dibromo-4-hydroxymercurifluorescein(2-) is a benzoate anion resulting from deprotonation from the phenol and the carboxy groups of 2,7-dibromo-4-hydroxymercurifluorescein. | 0 |
Metixene is a member of thioxanthenes and a member of piperidines. | It has a role as an antiparkinson drug, a muscarinic antagonist and a histamine antagonist. | 0 |
It has a role as a bacterial xenobiotic metabolite and a fungal xenobiotic metabolite. | 3-fluorocatechol is a catechol bearing an additional fluoro substituent at position 3. | 0 |
It contains a Sirius red F3B(6-). | A polyazo dye used principally in staining methods for collagen and amyloid. | 0 |
Perillyl aldehyde is an aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. | It has a role as a mouse metabolite, a human metabolite and a volatile oil component. | 0 |
It has a role as a mutagen. | It is a disaccharide derivative, a member of 3'-hydroxyflavanones, a dihydroxyflavanone, a monomethoxyflavanone, a flavanone glycoside, a member of 4'-methoxyflavanones and a rutinoside. | 0 |
It derives from a hydride of a phosphonium. | Tetraphenylphosphonium is a polyatomic cation consisting of four phenyl groups attached to a central phosphonium. | 0 |
It is a S-alkyl thiosulfate and a tertiary amino compound. | S-2-(dimethylamino)ethyl thiosulfate is an S-alkyl thiosulfate having 2-(dimethylamino)ethyl as the alkyl group. | 0 |
Propargite is a sulfite ester and a terminal acetylenic compound. | It has a role as a sulfite ester acaricide. | 0 |
N-malonylanthranilic acid is a dicarboxylic acid monoamide. | It is functionally related to an anthranilic acid. | 0 |
Picrocrocin is a beta-D-glucoside of beta-cyclocitral; the precursor of safranal. | It is functionally related to a beta-cyclocitral. | 0 |
It has a role as an antibacterial drug. | Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. | 0 |
It is a member of salicylamides, a member of salicylanilides and a benzanilide fungicide. | Salicylanilide is an amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. | 0 |
It is an enantiomer of a (+)-neoisodihydrocarveol. | (-)-neoisodihydrocarveol is a dihydrocarveol with a (1R,2S,4S)-configuration. | 0 |
It is a flavanone glycoside, a monomethoxyflavanone, a monohydroxyflavanone and a member of 4'-hydroxyflavanones. | Sakuranin is a flavanone glycoside that is sakuranetin attached to a beta-D-glucopyranosyl residue at position 5 via a glycosidic linkage. | 0 |
It is a conjugate acid of an ochratoxin alpha(1-). | Ochratoxin alpha is a member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. | 0 |
9,10-diphenylanthracene is a member of the class of anthracenes that is anthracene in which both of the hydrogens on the central ring are substituted by phenyl groups. | It has a role as a fluorochrome and a photosensitizing agent. | 0 |
Quinoline yellow is a quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2. | It has a role as a dye. | 0 |
It is a catechin, a gallate ester and a polyphenol. | (-)-epicatechin-3-O-gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. | 0 |
5alpha-cholest-8-en-3beta-ol is a cholestanoid that is 5alpha-cholestane substituted by a beta-hydroxy group at position 3. | It derives from a hydride of a 5alpha-cholestane. | 0 |
An antibacterial agent produced by Streptomyces chibaensis. | It is a ynamide, a dicarboxylic acid diamide and a primary carboxamide. | 0 |
It is a conjugate acid of a 3-(4-hydroxyphenyl)pyruvate. | It is a member of phenols and a 2-oxo monocarboxylic acid. | 0 |
Methylsulfanol is an S-alkylsulfenic acid in which the alkyl group is specified as methyl. | It is a one-carbon compound and a S-alkylsulfenic acid. | 0 |
It has a role as a human metabolite. | Methylmalonyl-CoA is a member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain. | 0 |
It is functionally related to a D-fructose. | 5-dehydro-D-fructose is a hexose obtained by selective dehydration at the 5-position of D-fructose. | 0 |
It is functionally related to a 2-naphthoic acid. | Pamoic acid is a dicarboxylic acid. | 0 |
It has a role as an epitope. | Beta-D-mannose is a D-mannopyranose in which the anomeric centre has beta-configuration. | 0 |
It is functionally related to a dibenzothiophene. | Dibenzothiophene 5-oxide is a member of the class of dibenzothiophenes that is the 5-oxo derivative of dibenzothiophene. | 0 |
Methadone hydrochloride is a hydrochloride. | It contains a methadone. | 0 |
It is a conjugate acid of a 2-naphthoate. | 2-naphthoic acid is a naphthoic acid that is naphthalene carrying a carboxy group at position 2. | 0 |
It is functionally related to a benzoic acid. | Benzoyl cyanide is an alpha-ketonitrile and an aromatic ketone. | 0 |
It has a role as a mutagen, an antibacterial agent, an explosive and a mitochondrial respiratory-chain inhibitor. | Sodium azide is the sodium salt of hydrogen azide (hydrazoic acid). | 0 |
A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic. | Patulin is a furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. | 0 |
It has a role as a geroprotector. | Latrepirdine is a member of methylpyridines and a pyridoindole. | 0 |
Trans-4-hydroxy-L-proline betaine is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. | It has a role as a plant metabolite. | 0 |
It has a role as an androgen. | 1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol is a 3-hydroxy steroid. | 0 |
It has a role as a metabolite. | It is functionally related to a diosgenin. | 0 |
An orange polyketide pigment that is a common intermediate in many different fungal biosynthetic pathways. | It is a benzochromenone, a polyketide, an aromatic ether and a member of phenols. | 0 |
Carfentanil is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate with propanoic acid. | It has a role as a mu-opioid receptor agonist, an opioid analgesic and a tranquilizing drug. | 0 |
Thiosalicylic acid is a sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid. | It has a role as a non-narcotic analgesic and an antipyretic. | 0 |
It has a role as a ferroptosis inhibitor and a radical scavenger. | 10H-phenoxazine is a member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6. | 0 |
It is functionally related to a succinic acid. | It has a role as a chelator. | 0 |
N(5)-hydroxy-L-ornithine is a member of the class of hydroxylamines that is L-ornithine in which one of the N(5)-amino hydrogens is replaced by a hydroxy group. | It is a L-ornithine derivative, a member of hydroxylamines and a non-proteinogenic alpha-amino acid. | 0 |
It is a bromide salt and a quaternary ammonium salt. | It contains a tetrapropylammonium. | 0 |
It has a role as a metabolite. | Trp-Gly is a dipeptide formed from L-tryptophan and glycine residues. | 0 |
It is a secondary alcohol, a secondary alpha-hydroxy ketone and a hexanone. | 4-hydroxyhexan-3-one is a hexanone that is hexan-3-one substituted by a hydroxy group at position 4. | 0 |
It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a geroprotector and an angiogenesis inhibitor. | An inhibitor of nitric oxide synthase. | 0 |
It has a role as an androgen. | 11-Ketoandrosterone is a 3-hydroxy steroid. | 0 |
Vincamine is a vinca alkaloid, an alkaloid ester, an organic heteropentacyclic compound, a methyl ester and a hemiaminal. | It has a role as an antihypertensive agent, a vasodilator agent and a metabolite. | 0 |
Chloroacetone is an alpha-chloroketone. | It is functionally related to an acetone. | 0 |
4-hydroxytryptamine is a member of the class of tryptamines that is tryptamine in which the the indole ring has been substituted by a hydroxy group at position 4. | It is a conjugate base of a 4-hydroxytryptamine(1+). | 0 |
It is functionally related to an anthranilic acid. | It is an aminobenzoic acid and a nitrobenzoic acid. | 0 |
A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. | It is an aminobenzoic acid, a secondary amino compound and an organochlorine compound. | 0 |
It has a role as a human metabolite. | S(8)-(3-methylbutanoyl)dihydrolipoamide is a S-(methylbutanoyl)dihydrolipoamide. | 0 |
It derives from a hydride of a 5beta-cholestane. | Cholesterol beta-epoxide is 5,6beta-epoxy-5beta-cholestan-3beta-ol It is a 3beta-hydroxy steroid, an oxysterol and an epoxy steroid. | 0 |
(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone. | It is an enantiomer of a (+)-alpha-thujone. | 0 |
It is functionally related to a cadaverine. | N-acetylcadaverine is an N-substituted cadaverine that is cadaverine in which one of the amino groups has been converted to the corresponding acetamide. | 0 |
It is functionally related to a benzyl alcohol. | Tocamphyl is a carboxylic ester. | 0 |
It has a role as a fundamental metabolite. | DTMP is the neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). | 0 |
Formate is a monocarboxylic acid anion that is the conjugate base of formic acid. | It is a conjugate base of a formic acid. | 0 |
Conduritol is a tetrol that is cyclohexene in which a hydrogen attached to each of the carbons at positions 3, 4, 5, and 6 is replaced by a hydroxy group. | It is a tetrol, a secondary alcohol and a cyclitol. | 0 |
It is a purine 2'-deoxyribonucleoside and a purines 2'-deoxy-D-ribonucleoside. | 2'-deoxynebularine is a purine 2'-deoxyribonucleoside in which a 2-deoxy-beta-D-ribofuranosyl residue is attached at position 9 of 9H-purine via a glycosidic linkage. | 0 |
It is a conjugate base of a spermine dialdehyde(2+). | Spermine dialdehyde is an aldehyde. | 0 |
It has a role as an environmental contaminant, a bacterial xenobiotic metabolite and a human xenobiotic metabolite. | It is a metabolite of parathion. | 0 |
It is a member of benzoins and a secondary alpha-hydroxy ketone. | Benzoin is a ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. | 0 |
2,6-dimethylheptan-1-ol is an alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1. | It is an alkyl alcohol and a primary alcohol. | 0 |
It is a benzoxazocine and a tertiary amino compound. | 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. | 0 |
It is a conjugate acid of a hydrogenselenite. | Selenous acid is a selenium oxoacid. | 0 |
It is an inorganic phosphate salt and an inorganic potassium salt. | Tripotassium phosphate is an inorganic potassium salt that is the tripotassium salt of phosphoric acid. | 0 |
Atenolol is an ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. | It has a role as a beta-adrenergic antagonist, an anti-arrhythmia drug, an antihypertensive agent, a sympatholytic agent, a xenobiotic and an environmental contaminant. | 0 |
It is a butanediol, a glycol and a secondary alcohol. | Butane-2,3-diol is a butanediol in which hydroxylation is at C-2 and C-3. | 0 |
Fulminate is a pseudohalide anion. | It is a conjugate base of a fulminic acid and an isofulminic acid. | 0 |
It has a role as an opioid analgesic and a mu-opioid receptor antagonist. | Levacetylmethadol is an acetate ester and a tertiary amino compound. | 0 |
It is an organonitrogen heterocyclic compound and an organic heterobicyclic compound. | Pyrrolizidine is a bicyclic organonitrogen heterocyclic compound comprised of two ortho-fused pyrrolidine rings which share a common nitrogen atom. | 0 |
A potent inhibitor of neutral endopeptidase (NEP, neprilysin, EC 3.4.24.11), it is used as its 2,3-dihydro-1H-inden-5-yl ester prodrug in the treatment of chronic heart failure. | It is a dicarboxylic acid and a dicarboxylic acid monoamide. | 0 |
Sulfoacetaldehyde is an organosulfonic acid and an alpha-CH2-containing aldehyde. | It is a conjugate acid of a sulfonatoacetaldehyde. | 0 |
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid. | It is an enantiomer of a 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid. | 0 |
5-methyldeoxycytidine 5'-(trihydrogen diphosphate) is a 2'-deoxycytidine phosphate and a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate. | It is a conjugate acid of a 5-methyldeoxycytidine 5'-diphosphate(3-). | 0 |
It is functionally related to a succinic acid and an adenosine 5'-monophosphate. | N(6)-(1,2-dicarboxyethyl)-AMP is the N(6)-(1,2-dicarboxyethyl) derivative of adenosine 5'-monophosphate. | 0 |
It has a role as a GABA agonist. | Ethylenediamine is an alkane-alpha,omega-diamine in which the alkane is ethane. | 0 |
Meldonium is an ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. | It has a role as a cardioprotective agent, a neuroprotective agent and an EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor. | 0 |
P-methylhippuric acid is an N-acylglycine in which the acyl group is specified as 4-methylbenzoyl. | It has a role as a metabolite. | 0 |
It is a 18-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 21-hydroxy steroid, a 3-oxo steroid and a primary alpha-hydroxy ketone. | It has a role as a human metabolite and a mouse metabolite. | 0 |
5-(4-hydroxybutyl)hydantoin is an imidazolidine-2,4-dione substituted by a 4-hydroxybutyl group at position 5. | It is an imidazolidine-2,4-dione and a primary alcohol. | 0 |
It is functionally related to a streptamine. | Streptamine 5-phosphate is a scyllo-inositol phosphate compound having a phosphate group in the 5-position and amino groups in place of hydroxy groups in the 1- and 3-positions. | 0 |
It has a role as a human urinary metabolite. | 1-nitroheptane is a primary nitroalkane that is heptane substituted by a nitro group at position 1. | 0 |
Nonacosanoic acid is a very long-chain fatty acid comprising of 29 carbon atoms. | It is a straight-chain saturated fatty acid and a prostaglandin A1. | 0 |
Ala-Tyr is a dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage. | It is functionally related to a L-alanine and a L-tyrosine. | 0 |
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide is an organochlorine compound that is 2-chloroacetamide substituted by a 2,4-dimethylthiophen-3-yl and a 1-methoxypropan-2-yl group at the nitrogen atom. | It is a member of thiophenes, an aromatic amide, an ether and an organochlorine compound. | 0 |
It is a 3-hydroxyproline, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. | 3-hydroxy-L-proline is the L-stereoisomer of 3-hydroxyproline. | 0 |
It has a role as an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a herbicide. | Chlornitrofen is an aromatic ether, a member of chlorobenzenes and a C-nitro compound. | 0 |
2,4-dibromophenol is a bromophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by bromines. | It is a bromophenol, a dibromobenzene and a brominated flame retardant. | 0 |
It has a role as an apoptosis inducer, an allergen, a xenobiotic, an environmental contaminant and an antifungal agrochemical. | It is a C-nitro compound, a chloropyridine, an aminopyridine, a secondary amino compound, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes. | 0 |
Phe-Gly-Gly is a tripeptide composed of one L-phenylalanine and two glycine residues joined in sequence. | It has a role as a metabolite. | 0 |
It is functionally related to a pyridoxamine. | It is a conjugate acid of a pyridoxamine 5'-phosphate(1-). | 0 |
It has a role as an antibacterial drug. | It is a member of carbapenems, a pyrazolotriazole and an organic sulfide. | 0 |
Glyceraldehyde 3-phosphate is an aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. | It is an important metabolic intermediate in several central metabolic pathways in all organisms. | 0 |
It has a role as a cathartic. | Sodium sulfate decahydrate is a hydrate. | 0 |