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The hydrochloride salt is the histological dye 'new fuchsin'. | It is an imine and a substituted aniline. | 0 |
It has a role as a plant metabolite. | 7,3'-dihydroxy-4'-methoxy-8-methylflavan is a hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8. | 0 |
Hypobromous acid is a bromine oxoacid. | It is a conjugate acid of a hypobromite. | 0 |
It has a role as a phenoxy herbicide. | CPP is a monocarboxylic acid. | 0 |
Carfimate is a carboxylic ester. | It is functionally related to a benzyl alcohol. | 0 |
It is a pyrrolidinone and a dicarboximide. | An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures. | 0 |
Dihydroclavaminic acid is a monocarboxylic acid. | It is a tautomer of a dihydroclavaminic acid zwitterion. | 0 |
Glutamine is an alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. | It is a conjugate acid of a glutaminate. | 0 |
It contains an acamprosate(1-). | Acamprosate calcium is an organic calcium salt. | 0 |
It is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid, a 26-oxo steroid, a cholestanoid and a steroid aldehyde. | It has a role as a human metabolite. | 0 |
Fluorescein 5-isothiocyanate is the 5-isomer of fluorescein isothiocyanate. | Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques. | 0 |
N-methyl-4-pyridone-3-carboxamide is a member of the class of 4-pyridones that is 4-pyridone substituted with a carboxamide group at C-3 and a methyl group at N-1. | It is a pyridinecarboxamide, a member of methylpyridines and a member of 4-pyridones. | 0 |
It is a member of benzimidazoles, a member of furans and a benzimidazole fungicide. | Fuberidazole is a ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. | 0 |
Hexadecane is a straight-chain alkane with 16 carbon atoms. | It is a component of essential oil isolated from long pepper. | 0 |
Centrally active following systemic administration. | It is a N-arylpiperazine, an organofluorine compound and a pyrroloquinoxaline. | 0 |
It is a conjugate acid of an UDP-alpha-D-galactosamine(1-). | UDP-alpha-D-galactosamine is a UDP-amino sugar having alpha-D-galactosamine as the amino-sugar component. | 0 |
It is a conjugate base of an ethanolaminium(1+). | Ethanolamine is a member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol. | 0 |
Gibberellin A44 diacid is a dicarboxylic acid and a C20-gibberellin. | It is a conjugate acid of a gibberellin A44 (2-) (diacid form). | 0 |
It is a conjugate base of a butoconazole(1+). | An antifungal agent, it is used as its nitrate salt in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. | 0 |
It is a secondary alcohol, an amino acid amide and an aromatic ether. | It is a conjugate base of a midodrine(1+). | 0 |
It has a role as an epitope. | It is a primary amino compound and an aromatic ketone. | 0 |
It is a 1,2-diacyl-sn-glycerol and a dioctanoylglycerol. | 1,2-dioctanoyl-sn-glycerol is 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. | 0 |
Prosulfocarb is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. | It is a member of benzenes and a monothiocarbamic ester. | 0 |
It is functionally related to an adenosine. | It is a member of adenosines, an organofluorine compound, a sulfamate ester, a member of 6-aminopurines and a diol. | 0 |
It is an arylacetylene and a member of benzenes. | It has a role as a fluorochrome. | 0 |
It has been found in Lycopersicon esculentum It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. | It is a 2-oxo monocarboxylic acid and an indol-3-yl carboxylic acid. | 0 |
It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria. | It is functionally related to an acetic acid and a phenol. | 0 |
Eriocitrin is a disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. | It is a disaccharide derivative, a member of 3'-hydroxyflavanones, a trihydroxyflavanone, a flavanone glycoside, a member of 4'-hydroxyflavanones and a rutinoside. | 0 |
It has a role as an Escherichia coli metabolite and a mouse metabolite. | It is a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. | 0 |
Pro-Tyr is a dipeptide formed from L-proline and L-tyrosine residues. | It has a role as a metabolite. | 0 |
It is a L-arginine derivative, a N-nitro compound, a member of guanidines and a non-proteinogenic L-alpha-amino acid. | N(gamma)-nitro-L-arginine is an L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group. | 0 |
It is a 1,2-diglyceride and a tetradecanoate ester. | 1,2 ditetradecanoylglycerol is a 1,2-diglyceride in which the acyl groups at positions 1 and 2 are specifed as tetradecanoyl. | 0 |
It has a role as an estrogen. | 2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol is a steroid. | 0 |
It is a tautomer of a 1-nitroguanidine. | 2-nitroguanidine is a nitroguanidine and a one-carbon compound. | 0 |
2-(hydroxymethyl)anthraquinone is an anthraquinone. | It has a role as a metabolite. | 0 |
It is a bis(azo) compound, a member of azobenzenes, a chloro-1,3,5-triazine, a diamino-1,3,5-triazine and a naphthalenesulfonic acid. | Reactive red 120 is a bis(azo) compound that consists of a benzene core having two (4-amino-6-chloro-1,3,5-triazin-2-yl)amino groups attached at positions 1 and 4 and which in turn have 5-hydroxy-6-[(2-sulfophenyl)diazenyl]-2,7-disulfonaphthalen-4-yl groups attached to their 4-amino functions. | 0 |
It has a role as an ophthalmology drug, an anti-inflammatory agent, a glucocorticoid receptor agonist, a prodrug and an anti-allergic agent. | It contains a prednisolone phosphate(2-). | 0 |
It has a role as an antimicrobial agent, a bacterial metabolite and an antibacterial drug. | It is a conjugate base of a spectinomycin(2+) and a spectinomycin(1+). | 0 |
It is functionally related to a 12-methyltetradecanoic acid. | It has a role as a plant metabolite. | 0 |
It is functionally related to a cyanidin cation. | It is a conjugate acid of a cyanidin 3-O-rutinoside betaine. | 0 |
It is a conjugate acid of a L-arginine amide. | L-arginine amide(1+) is a guanidinium ion resulting from the protonation of the guanidinyl group of L-arginine amide. | 0 |
Copper(1+) is a copper cation and a monoatomic monocation. | It has a role as a cofactor. | 0 |
It has a role as an opioid analgesic, a mu-opioid receptor agonist, an intravenous anaesthetic, a central nervous system depressant and a peripheral nervous system drug. | Alfentanil is a member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position. | 0 |
It is an intermediate in the pyruvate metabolism. | It is a conjugate acid of a (R)-S-lactoylglutathionate(1-). | 0 |
It has a role as a carcinogenic agent, a solvent, a refrigerant, a local anaesthetic and an alkylating agent. | It is an alkylating agent used as a chemical intermediate in various organic syntheses. | 0 |
(+)-beta-thujone is a beta-thujone. | It is an enantiomer of a (-)-beta-thujone. | 0 |
2-methyl-1-tetralone is a member of the class of tetralins that is tetralin in which the hydrogens at positions 1 and 2 are replaced by oxo and methyl groups, respectively. | It is a member of tetralins and an aromatic ketone. | 0 |
It is a drug used for the treatment of hairy cell leukaemia. | It has a role as an EC 3.5.4.4 (adenosine deaminase) inhibitor, an antineoplastic agent, an antimetabolite, a bacterial metabolite and an Aspergillus metabolite. | 0 |
It is functionally related to a N-acetyl-beta-D-glucosamine and a N-acetyl-D-glucosamino-1,5-lactone. | N,N'-diacetylchitobiono-1,5-lactone is a disaccharide that is N-acetyl-D-glucosamino-1,5-lactone in which the hydroxy group at position 5 is replaced by a 2-acetamido-2-deoxy-beta-D-glucopyranosyl group. | 0 |
It is an enantiomer of a 4-amino-D-phenylalanine. | 4-amino-L-phenylalanine is the L-enantiomer of 4-aminophenylalanine. | 0 |
Metabolite of ampicillin phthalidyl ester. | It has a role as a mouse metabolite, a bacterial xenobiotic metabolite and a drug metabolite. | 0 |
Allantoic acid is a member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. | It is a conjugate acid of an allantoate. | 0 |
17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one is a 3-hydroxy steroid. | It has a role as an androgen. | 0 |
6-methylheptan-1-ol is a primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1. | It is a primary alcohol and a volatile organic compound. | 0 |
It is a gamma-lactone and a member of 2-benzofurans. | 2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. | 0 |
It has a role as a human xenobiotic metabolite and a mouse metabolite. | 4-nitrophenol is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 0 |
It is an enantiomer of a 2-methyl-L-serine. | 2-methyl-D-serine is the D-enantiomer of 2-methylserine. | 0 |
Homoveratric acid is a phenylacetic acid substituted at positions 3 and 4 by methoxy groups. | It has a role as a human urinary metabolite and a human xenobiotic metabolite. | 0 |
Amphetamine sulfate is an organic sulfate salt. | It contains an amphetamine. | 0 |
Cepharadione B is an isoquinoline alkaloid. | It is functionally related to an aporphine. | 0 |
Sulcotrione is an aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2. | It is an aromatic ketone, a sulfone, a member of cyclohexanones and a beta-triketone. | 0 |
It is functionally related to a glutaric acid. | It has a role as a metabolite. | 0 |
Calcein is a xanthene dye. | It has a role as a fluorochrome. | 0 |
Formetanate is a carbamate ester. | It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an acaricide and an agrochemical. | 0 |
Butin is a trihydroxyflavanone in which the three hydroxy substituents are located at positions 3', 4' and 7. | It is found in Acacia mearnsii, Vernonia anthelmintica and Dalbergia odorifera and has a protective affect against oxidative stress-induced mitochondrial dysfunction. | 0 |
It is a conjugate acid of a N-acetyl-9-O-acetylneuraminate. | N-acetyl-9-O-acetylneuraminic acid is a N-acetyl-O-acetylneuraminic acid. | 0 |
Vincaleukoblastine sulfate is an alkaloid sulfate salt. | It is functionally related to a vincaleukoblastine. | 0 |
Alchornine is an organonitrogen compound and an organooxygen compound. | It is functionally related to a beta-amino acid. | 0 |
It has a role as an insecticide, a plant growth regulator and a rodenticide. | Lead arsenate is an inorganic lead salt composed from lead(2+) and arsenate dianion. | 0 |
It is a nonpeptide antagonist of angiotensin II, type 1 (AT1) receptors, used for the treatment of hypertension. | It has a role as an angiotensin receptor antagonist and an antihypertensive agent. | 0 |
It is an aromatic ether, a member of ethanolamines, a methyl ester, a secondary alcohol and a secondary amino compound. | Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate is a methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. | 0 |
N'3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide is a pyridinecarboxamide. | It is functionally related to a nicotinamide. | 0 |
It has a role as a local anaesthetic, a peripheral nervous system drug and a central nervous system depressant. | It contains a chloroprocaine. | 0 |
It is a conjugate acid of a choline sulfate. | Choline hydrogen sulfate is a quaternary ammonium ion and a member of choline sulfates. | 0 |
Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere. | Mianserin is a dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. | 0 |
3-methoxyestra-1,3,5(10)-trien-16beta-ol is a 16beta-hydroxy steroid that is estra-1,3,5(10)-trien-16beta-ol substituted by a methoxy group at position 3. | It derives from a hydride of an estrane. | 0 |
It is a conjugate acid of a cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylate(2-). | Cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid is a cyclohexadienedicarboxylic acid. | 0 |
Formyl dihydrogen phosphate is an acyl monophosphate and a one-carbon compound. | It is a conjugate acid of a formyl phosphate(1-). | 0 |
It is a conjugate acid of a sumatriptan(1+). | It is functionally related to a N,N-dimethyltryptamine. | 0 |
It is functionally related to a fluticasone. | Fluticasone propionate is a trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity. | 0 |
It is functionally related to an alpha-amino acid. | Cyclo(Tyr-Pro) is an organonitrogen compound and an organooxygen compound. | 0 |
It has a role as a plant metabolite, a food component and a human urinary metabolite. | N-methylnicotinate is an iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. | 0 |
Intermedine is a carboxylic ester compound formed from condensation between retronecine and (2S,3R)-2,3-dihydroxy-2-isopropylbutanoic acid. | It is a member of pyrrolizines, an azabicycloalkane and a carboxylic ester. | 0 |
It is functionally related to a 3-methylthiopropanol. | 3-methylthiopropyl acetate is an acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid. | 0 |
It has a role as a metabolite. | Endocrocin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8. | 0 |
It has a role as a hapten. | 2-nitrobenzenediazonium is the aromatic diazonium ion formed from diazotisation of the amino group in 2-nitroaniline. | 0 |
It is a conjugate base of a L-ornithinium(1+). | It is an ornithine and a non-proteinogenic L-alpha-amino acid. | 0 |
It has a role as an antibacterial drug. | It is a N-acyl-amino acid, an oxacephem and an organonitrogen heterocyclic antibiotic. | 0 |
A toxic nerve agent developed by the former Soviet Union. | It has a role as a neurotoxin and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. | 0 |
Testosterone sulfate is a steroid sulfate that is testosterone substituted by a sulfoxy group at position 17. | It is an androstanoid, a steroid sulfate and a 3-oxo-Delta(4) steroid. | 0 |
(S)-columbianetin is the (S)-(+)-enantiomer of columbianetin. | It is an enantiomer of a (R)-columbianetin. | 0 |
It is functionally related to a deamido-NAD(+). | It is a NAD(P)(+) and a NAD. | 0 |
It is a conjugate acid of a 2-chloroacrylate. | 2-chloroacrylic acid is a chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine. | 0 |
Nipecotic acid is a piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. | It is a piperidinemonocarboxylic acid and a beta-amino acid. | 0 |
9,12,13-trihydroxyoctadec-10-enoic acid is a TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13. | It has a role as a plant metabolite. | 0 |
It is functionally related to a mandelic acid. | 3-dimethylallyl-4-hydroxymandelic acid is a 2-hydroxy monocarboxylic acid that is mandelic acid carrying dimethylallyl and hydroxy substituents at positions 3 and 4 respectively. | 0 |
It is a triol, a 6alpha-hydroxy steroid, a 3beta-sterol and a 17beta-hydroxy steroid. | It is functionally related to a 5alpha-androstane. | 0 |
It is functionally related to a gamma-amino acid. | Isoputreanine is an organooxygen compound and an organonitrogen compound. | 0 |
It has a role as a fumigant insecticide. | It is a member of methyl halides and a member of iodomethanes. | 0 |
1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene is a member of tetralins and an epoxide. | It has a role as a mouse metabolite. | 0 |
Subsets and Splits