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It is functionally related to an arbekacin. | Arbekacin sulfate is an aminoglycoside sulfate salt. | 0 |
(+)-dihydrocarvone is a dihydrocarvone in (R,R) configuration. | It is an enantiomer of a (-)-dihydrocarvone. | 0 |
Arbutamine is a catecholamine. | It has a role as a beta-adrenergic agonist and a cardiotonic drug. | 0 |
It is a conjugate acid of a (S)-dihydroorotate. | It is an enantiomer of a (R)-dihydroorotic acid. | 0 |
Fosthiazate is a phosphonic ester, an organic phosphonate and an organothiophosphate insecticide. | It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and a nematicide. | 0 |
Benzamidine(1+) is a carboxamidinium ion obtained by protonation of the amidino group of benzamidine. | It is a conjugate acid of a benzamidine. | 0 |
Beta-cellobiose is a cellobiose with beta configuration at the reducing-end glucose residue. | It has a role as an epitope. | 0 |
It derives from a hydride of an abieta-7,13-diene. | Abietol is an abietane diterpenoid having the skeleton of abietane with double bonds at C-7 and C-13 and a hydroxy function at C-18. | 0 |
It is a long-chain fatty acid and a branched-chain saturated fatty acid. | 12-methyltetradecanoic acid is a branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent. | 0 |
It is a conjugate acid of an isophthalate(1-). | Isophthalic acid is a benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. | 0 |
It is a conjugate base of a ketanserin(1+). | It has a role as an alpha-adrenergic antagonist, a serotonergic antagonist, an antihypertensive agent, a cardiovascular drug and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. | 0 |
4-hydroxybutyric acid is a 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. | It is a 4-hydroxy monocarboxylic acid and a hydroxybutyric acid. | 0 |
It is an organic heteropolycyclic compound and a dicarboximide. | It has a role as a fluorochrome. | 0 |
It is a tautomer of an 8-hydroxyquinolin-2(1H)-one. | Quinoline-2,8-diol is a dihydroxyquinoline. | 0 |
Bithionol is an aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. | A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders. | 0 |
N,N-dimethylacetamide is a member of the class of acetamides that is acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. | It is a member of acetamides and a monocarboxylic acid amide. | 0 |
It is a conjugate acid of a thiaminium carboxylate betaine. | It has a role as a bacterial metabolite and a rat metabolite. | 0 |
It has a role as a marine xenobiotic metabolite and a drug metabolite. | It is a carbohydrazide and a monocarboxylic acid amide. | 0 |
It has a role as a metabolite. | Phe-Glu is a dipeptide formed from L-phenylalanine and L-glutamic acid residues. | 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite. | Lauroyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid. | 0 |
1-amino-1-deoxy-scyllo-inositol 4-phosphate is a scyllo-inositol phosphate having a monophosphate group at the 4-position as well as the hydroxy group at the 1-position replaced by an amino group. | It is a conjugate acid of a 1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-). | 0 |
It is a benzyltetrahydroisoquinoline, a benzylisoquinoline alkaloid, a member of phenols and an aromatic ether. | It is functionally related to a norlaudanosoline. | 0 |
It is an enantiomer of a (2R,4S)-ketoconazole. | (2S,4R)-ketoconazole is a cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration. | 0 |
2-isopropylphenol is a member of the class of phenols carrying an isopropyl group at position 2. | It derives from a hydride of a cumene. | 0 |
It is an acetate ester and a benzyl ester. | It has a role as a metabolite. | 0 |
It has a role as a human urinary metabolite and a human xenobiotic metabolite. | Tyramine sulfate is an aryl sulfate that is tyramine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group. | 0 |
It is a monovalent inorganic anion and a chlorine oxoanion. | It is a conjugate base of a chloric acid. | 0 |
It is an active metabolite of amitriptyline. | It has a role as a drug metabolite, an antidepressant, an adrenergic uptake inhibitor, an analgesic, an antineoplastic agent and an apoptosis inducer. | 0 |
Alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose is a disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. | It has a role as a metabolite. | 0 |
It is functionally related to an adipic acid. | It is a 2-hydroxydicarboxylic acid and a dicarboxylic fatty acid. | 0 |
It is a pyrimidone, an aminopyrimidine and a pyrimidine nucleobase. | 2-amino-4-hydroxypyrimidine is an aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively. | 0 |
It has a role as a carotenoid biosynthesis inhibitor. | Benzofenap is a member of acetophenones. | 0 |
Tellurous acid is a tellurium oxoacid. | It is a conjugate acid of a hydrogentellurite. | 0 |
Volkenin is a cyanogenic glycoside that is (4R)-4-hydroxycyclopent-2-ene-1-carbonitrile attached to a beta-D-glucopyranosyloxy at position 1. | It is a beta-D-glucoside, a cyanogenic glycoside, a monosaccharide derivative and an aliphatic nitrile. | 0 |
It is a long-chain primary fatty alcohol and a fatty alcohol 13:0. | 11-methyldodecan-1-ol is a long-chain fatty alcohol that is dodecan-1-ol bearing a methyl substituent at position 11. | 0 |
It has a role as a fibroblast growth factor receptor antagonist, an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. | It is functionally related to a PD-166866. | 0 |
It has a role as an antifungal agent. | Exalamide is an benzamide that is salicylamide in which the phenolic hydroxy group has been converted into the corresponding hexyl ether. | 0 |
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. | A fungicide used for the control of rice blast, it is not approved for use within the European Union. | 0 |
4-acetamidobutanoyl-CoA is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-acetamidobutanoic acid. | It is functionally related to a butyryl-CoA. | 0 |
It is a conjugate acid of a 3-hydroxydecanoate. | It has a role as an antimitotic and an Escherichia coli metabolite. | 0 |
It is functionally related to a micronomicin. | Micronomicin sulfate is an aminoglycoside sulfate salt. | 0 |
6-azauridine is a N-glycosyl-1,2,4-triazine. | It has a role as an antineoplastic agent, an antimetabolite and a drug metabolite. | 0 |
N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine is an N-[4-(4-nitrophenylphospho)butanoyl]alanine that has R at the chiral carbon. | It has a role as an epitope. | 0 |
Iron trichloride is an iron coordination entity. | It has a role as a Lewis acid and an astringent. | 0 |
2-(chloromethyl)pyridine is an organochlorine compound that is pyridine substituted at position 2 by a chloromethyl group. | It is a member of pyridines and an organochlorine compound. | 0 |
It is an (omega-1)-hydroxy fatty acid and a medium-chain fatty acid. | (10R)-10-hydroxyundecanoic acid is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. | 0 |
1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine is a tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1. | It has a role as a dopamine uptake inhibitor. | 0 |
It has a role as a dye and an allergen. | It has a role as a dye and an allergen. | 0 |
It is an enantiomer of a dextropropoxyphene. | Levopropoxyphene is a 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate. | 0 |
It is a polyphenol, a secondary amino compound, a member of benzyl alcohols and a secondary alcohol. | 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol is a secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group. | 0 |
It is functionally related to a butan-1-ol and an acrylic acid. | Butyl acrylate is an acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. | 0 |
It is a member of hydroxybiphenyls and an organosulfinic acid. | 2'-hydroxybiphenyl-2-sulfinic acid is an organosulfinic acid that is benzenesulfinic acid in which the hydrogen at position 2 has been replaced by a 2-hydroxyphenyl group. | 0 |
Aurasperone C is a dimeric naphtho-gamma-pyrone with formula C31H28O12, originally isolated from Aspergillus niger It has a role as an Aspergillus metabolite and a marine metabolite. | It is an aromatic ether, an aromatic ketone, a biaryl, a cyclic hemiketal, a cyclic ketone, a naphtho-gamma-pyrone and a polyphenol. | 0 |
It is a diterpene alkaloid, an ortho ester, an epoxide and a tertiary alpha-hydroxy ketone. | Daphnetoxin is a daphnane-type orthoester diterpene with potential cholesterol-lowering activity, found exclusively in plants of the family Thymelaeaceae. | 0 |
It is a natural product found in oolong tea. | Theasinensin A is a biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. | 0 |
It has a role as a metabolite. | Streptidine is an amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. | 0 |
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile is a tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. | It is a tertiary amino compound, an aromatic ether, a polyether and a nitrile. | 0 |
It has a role as a rodenticide. | Ethanethiol is an alkanethiol that is ethane substituted by a thiol group at position 1. | 0 |
It is a thiazolidinemonocarboxylic acid and a thioproline. | It has a role as a metabolite and a geroprotector. | 0 |
It is functionally related to a mitomycin C. | It has a role as an antineoplastic agent. | 0 |
It is a secondary alcohol and an acetate ester. | 3-hydroxynonyl acetate is an acetate ester resulting from the formal condensation of the carboxy group of acetic acid with 1-hydroxy group of nonane-1,3-diol. | 0 |
It has a role as a fluorochrome and an anthelminthic drug. | Pibenzimol is a bibenzimidazole and a N-methylpiperazine. | 0 |
Erythromycin ethylsuccinate is a erythromycin derivative that is erythromycin A in which the hydroxy group at position 3R is substituted by a (4-ethoxy-4-oxobutanoyl)oxy group. | It is a succinate ester, a cyclic ketone, an erythromycin derivative and an ethyl ester. | 0 |
MCPA-thioethyl is an aromatic ether. | It has a role as a phenoxy herbicide. | 0 |
It has a role as a human metabolite. | It is a conjugate acid of a 5-oxoprolinate. | 0 |
It has a role as a xenoestrogen. | It is functionally related to a 17beta-estradiol. | 0 |
It is a delta-lactone, a cyclic terpene ketone, an enone, a member of furans, a limonoid, a tetracyclic triterpenoid, an acetate ester and a tertiary alcohol. | Nimolicinol is a limonoid found in Azadirachta indica. | 0 |
It has a role as an immunosuppressive agent and an antimicrobial agent. | Thiamphenicol is a sulfone and a monocarboxylic acid amide. | 0 |
It is a member of azobenzenes and a tertiary amino compound. | It has a role as a carcinogenic agent. | 0 |
It contains a hypochlorite. | It has a role as a bleaching agent. | 0 |
A selective post-emergence herbicide. | It is a conjugate acid of a 4-(2,4-dichlorophenoxy)butanoate. | 0 |
Tidiacic is an organooxygen compound and an organonitrogen compound. | It is functionally related to an alpha-amino acid. | 0 |
It has a role as a chromogenic compound. | 4-nitrophenyl N-acetyl-alpha-D-glucosaminide is an N-acetyl-alpha-D-glucosaminide in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group. | 0 |
4-tolyl isocyanate is an isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other. | It has a role as a hapten and an allergen. | 0 |
(+)-rolipram is the (S)-enantiomer of rolipram. | It is an enantiomer of a (-)-rolipram. | 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite. | It is a conjugate acid of an adenosine 3',5'-bismonophosphate(4-). | 0 |
An antibiotic isolated from Erwinia uredovora. | It has a role as an anticonvulsant, an EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor and an anti-HIV agent. | 0 |
It is functionally related to a 5-methyl-2-hexanone. | 5-methylhexan-2-one oxime is a ketoxime derived from 5-methylhexan-2-one. | 0 |
2,3-dimethylmalic acid is a 2-hydroxydicarboxylic acid that is malic acid substituted by methyl groups at positions 2 and 3. | It is functionally related to a malic acid. | 0 |
Indoxyl is a member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3. | It is a member of hydroxyindoles and a heteroaryl hydroxy compound. | 0 |
It is functionally related to a malonic acid. | Isoprothiolane is a malonate ester that is diisopropyl malonate in which the two methylene hydrogens at position 2 are replaced by a 1,3-dithiolan-2-ylidene group. | 0 |
Bisantrene is a hydrazone resulting from the formal condensation of both of the aldehyde groups of anthracene-9,10-dicarbaldehyde with 2-hydrazinyl-4,5-dihydro-1H-imidazole. | It has a role as an antineoplastic agent. | 0 |
Alosetron is a pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position. | It is a pyridoindole and a member of imidazoles. | 0 |
3-hydroxylauric acid is a medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders. | It is a conjugate acid of a 3-hydroxylaurate. | 0 |
It has a role as a prodrug, an anticonvulsant, an anxiolytic drug and a GABA modulator. | Dipotassium clorazepate is the compound of monopotassium clorazepate with potassium hydroxide. | 0 |
It is a naphthoisochromene, an aromatic ether, a member of phenols, an olefinic compound, a C-glycosyl compound, a tertiary amine and an acetate ester. | Ravidomycin is a C-glycosylated naphthoisochromene derivative obtained from Streptomyces ravidus; exhibits antibiotic and anticancer properties. | 0 |
It is a manganese molecular entity and a metal oxide. | Manganese dioxide is a manganese molecular entity with formula MnO2. | 0 |
It is functionally related to a L-2,4-diaminobutyric acid and an oxalic acid. | It is an alpha,omega-dicarboxylic acid and a monocarboxylic acid amide. | 0 |
Perfluoroheptane is a fluorocarbon. | It derives from a hydride of a heptane. | 0 |
Sirius scarlet GG (acid form) is an arenesulfonic acid that is 2-methoxybenzenesulfonic acid substituted at position 5 by a (4-amino-5-methoxy-2-methylphenyl)diazenyl group. | The sodium salt is the histological dye 'Sirius scarlet GG'. | 0 |
It is functionally related to a trichloroacetic acid and an ethylene glycol. | TCA-ethadyl is a diester. | 0 |
Trifluoro-L-methionine is an L-alpha-amino acid, methionine, with the S-methyl group trifluoro-substituted. | It is an organofluorine compound, a non-proteinogenic L-alpha-amino acid and a L-methionine derivative. | 0 |
It has a role as a blood substitute. | It derives from a hydride of an isoquinoline. | 0 |
It has a role as an antibacterial agent. | Alexidine is an amphipathic bisbiguanide with a structure consisting of two (2-ethylhexyl)guanide units linked by a hexamethylene bridge. | 0 |
4-nitroaniline is a nitroaniline carrying a nitro group at position 4. | It has a role as a bacterial xenobiotic metabolite. | 0 |
It is functionally related to a biphenyl-4-ol. | It is a member of hydroxybiphenyls and a dichlorobenzene. | 0 |
It is a long-chain fatty acid and a straight-chain saturated fatty acid. | It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. | 0 |
It is a methionine derivative, a sulfone and a non-proteinogenic alpha-amino acid. | Methionine sulfone is a methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. | 0 |
Oryzalin is a sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. | It has a role as a herbicide, an agrochemical and an antimitotic. | 0 |
Isonicotinamide is a pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid. | It is functionally related to an isonicotinic acid. | 0 |
Subsets and Splits