mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of (8Z,11Z,14Z)-heptadecatrienoic acid, arising from deprotonation of the carboxy group. It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as straight-chain fatty acid anion, polyunsaturated fatty acid anion.
The molecule <smiles>Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is gallic acid.   It is also related to or classified as flavans . It is also related to or classified as polyphenol, gallate ester.
The molecule <smiles>CC(C)Cc1ccc(CC(O)=O)cc1</smiles> is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of hepatotoxic agent. Its functional parent is acetic acid. It is also related to or classified as monocarboxylic acid.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A stilbenoid that is cis-3,5,3',4'-tetrahydroxystilbene substituted at position 3 by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-3,5,3',4'-tetrahydroxystilbene. It is also related to or classified as beta-D-glucoside . It is also related to or classified as polyphenol, stilbenoid, monosaccharide derivative.
The molecule <smiles>Cc1c(Nc2ncccc2C([O-])=O)cccc1C(F)(F)F</smiles> is A monocarboxylic acid anion that is the conjugate base of flunixin, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O</smiles> is A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. Its functional parent is propionic acid. It is also related to or classified as isoindoles, monocarboxylic acid, gamma-lactam.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC[C@@H](O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (R)-2-hydroxy-alpha-linolenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is alpha-linolenate. It is also related to or classified as hydroxy polyunsaturated fatty acid anion . It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as (2R)-2-hydroxy fatty acid anion .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCC=O</smiles> is A polyunsaturated fatty aldehyde that is heptadecenal having three double bonds located at postions 8, 11 and 14 (the 8Z,11Z,14Z-geoisomer). It has the role of metabolite. It is also related to or classified as polyunsaturated fatty aldehyde.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A stilbenoid that is cis-resveratrol substituted at position 3 by a beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-resveratrol. It is also related to or classified as beta-D-glucoside . It is also related to or classified as polyphenol, stilbenoid, monosaccharide derivative.
The molecule <smiles>CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O</smiles> is A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome. It has the role of non-steroidal anti-inflammatory drug. It has the role of antirheumatic drug. It is also related to or classified as monocarboxylic acid amide .  It is also related to or classified as isoxazoles . It is also related to or classified as benzothiazine.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC[C@@H](OO)C([O-])=O</smiles> is A hydroperoxy fatty acid anion that is the conjugate base of (R)-2-hydroperoxy-alpha-linolenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is alpha-linolenate.  It is also related to or classified as (2R)-2-hydroperoxy fatty acid anion . It is also related to or classified as hydroperoxyoctadecatrienoate.
The molecule <smiles>OC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1</smiles> is A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of antineoplastic agent. Its functional parent is acetic acid. It is a conjugate acid of lonazolac(1-). It is also related to or classified as monocarboxylic acid, pyrazoles, monochlorobenzenes.
The molecule <smiles>CC(C)Cc1ccc(cc1)C(C)C(=O)NO</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of ibuprofen with the amino group of hydroxylamine. Used for treatment of pain and inflammation associated with musculoskeletal and joint disorders. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of iron chelator. Its functional parent is ibuprofen. It is also related to or classified as hydroxamic acid.
The molecule <smiles>[Ca++].[O-]C(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1.[O-]C(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1</smiles> is an organic calcium salt having [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate as the counterion. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of antineoplastic agent. It is also related to or classified as organic calcium salt.
The molecule <smiles>Oc1ccc(cc1)[C@H]1[C@H]2[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)cc2)c2cc(O)cc(O)c12</smiles> is A tetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has the role of antioxidant. It has the role of antifungal agent. It has the role of plant metabolite. Its functional parent is resveratrol. It is also related to or classified as polyphenol, stilbenoid, carbopolycyclic compound.
The molecule <smiles>[O-]C(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1</smiles> is A monocarboxylic acid anion that is the conjugate base of lonazolac, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>CC(C(O)=O)c1ccc(CC2CCCC2=O)cc1</smiles> is A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of prodrug. Its functional parent is propionic acid. It is a conjugate acid of loxoprofen(1-). It is also related to or classified as monocarboxylic acid, cyclopentanones.
The molecule <smiles>Oc1ccc(cc1)[C@H]1Oc2cc(O)cc3C[C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]1c23</smiles> is A heterotetracyclic stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has the role of lipoxygenase inhibitor. It has the role of plant metabolite. Its functional parent is resveratrol. It is also related to or classified as polyphenol, stilbenoid, organic heterotetracyclic compound.
The molecule <smiles>Oc1ccc(cc1)[C@H]1Oc2cc(O)cc([C@@H]3[C@H](Oc4ccc(\C=C\c5cc(O)cc(O)c5)cc34)c3ccc(O)cc3)c2[C@@H]1c1cc(O)cc(O)c1</smiles> is A benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol. It is isolated from Dryobalanops oblongifolia. It has the role of plant metabolite. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>CCCCCCCCC\C=C/CCCCC([O-])=O</smiles> is A long-chain unsaturated fatty acid anion that is the conjugate base of sapienic acid, obtained by deprotonation of the carboxy group.  It is also related to or classified as hexadecenoate .  It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as straight-chain fatty acid anion, unsaturated fatty acid anion.
The molecule <smiles>[NH4+].[NH4+].O.O.O.O.O.O.[Fe++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A hydrate that is the hexahydrate form of ferrous ammonium sulfate. Acts as an iron ion donor for building Fe-S clusters in vitro. It is also related to or classified as iron molecular entity, hydrate.
The molecule <smiles>Oc1ccc(\C=C\c2cc(O)cc3O[C@@H]([C@H](c23)c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)c2ccc(O)cc2)cc1</smiles> is A benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol. It has the role of antioxidant. It has the role of antineoplastic agent. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor. It has the role of serotonergic antagonist. It has the role of apoptosis inducer. It has the role of plant metabolite. Its functional parent is trans-resveratrol. It is also related to or classified as polyphenol, stilbenoid, 1-benzofurans.
The molecule <smiles>Cc1c(Cl)cccc1Nc1ncccc1C(O)=O</smiles> is A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of vasodilator agent. It has the role of lipoxygenase inhibitor. It has the role of platelet aggregation inhibitor. Its functional parent is nicotinic acid. It is a conjugate acid of clonixin(1-).  It is also related to or classified as organochlorine compound . It is also related to or classified as pyridinemonocarboxylic acid, aminopyridine.
The molecule <smiles>C[C@H](C(O)=O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1</smiles> is A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-hydroxycyclopentyl)methyl]phenyl group (the 2S,1'R,2'S-stereoisomer. The active metabolite of loxoprofen. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of drug metabolite. It has the role of xenobiotic metabolite. It has the role of human metabolite. Its functional parent is propionic acid. Its functional parent is loxoprofen. It is also related to or classified as cyclopentanols, monocarboxylic acid.
The molecule <smiles>c1ccc(cc1)[C+](c1ccccc1)c1ccccc1</smiles> is an organic cation formed by loss of a proton from the central carbon of triphenylmethane. It is also related to or classified as organic cation.
The molecule <smiles>CN(C)c1ccc(cc1)C(c1ccc(O)cc1)c1ccc(cc1)N(C)C</smiles> is A tertiary amino compound in which the para positions of the three phenyl rings in triphenylmethane are substituted with two dimethylamino groups and one hydroxy group. It is also related to or classified as phenols . It is also related to or classified as tertiary amino compound.
The molecule <smiles>NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and 4-fluorophenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine to treat pain and inflammation in dogs with degenerative joint disease. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of cyclooxygenase 2 inhibitor.  It is also related to or classified as sulfonamide . It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazoles.
The molecule <smiles>NCCCC[C@H](N)C(O)=O.Cc1c(Cl)cccc1Nc1ncccc1C(O)=O</smiles> is an organoammonium salt obtained by combining clonixin with one molar equivalent of L-lysine. Used for treatment of renal colic, muscular pain and moderately severe migraine attacks. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of vasodilator agent. It has the role of lipoxygenase inhibitor. It has the role of platelet aggregation inhibitor. It is also related to or classified as organoammonium salt.
The molecule <smiles>CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1</smiles> is an oxo monocarboxylic acid anion that is the conjugate base of loxoprofen, obtained by deprotonation of the carboxy group. It is also related to or classified as oxo monocarboxylic acid anion.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A straight-chain saturated fatty acid that is tetratriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. It has the role of metabolite. It is a conjugate acid of tetratriacontanoate. It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as straight-chain saturated fatty acid.
The molecule <smiles>Oc1ccc(\C=C2/[C@H]([C@@H](c3c2cc(O)cc3O)c2ccc(O)cc2)c2cc(O)cc(O)c2)cc1</smiles> is an indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has the role of antioxidant. It has the role of plant metabolite. Its functional parent is resveratrol. It is also related to or classified as polyphenol, stilbenoid, indanes.
The molecule <smiles>Cc1c(Cl)cccc1Nc1ncccc1C([O-])=O</smiles> is A monocarboxylic acid anion that is the conjugate base of clonixin, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1</smiles> is A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. It is also related to or classified as monocarboxylic acid, amino acid, pyrrolizines, aromatic ketone.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is the 32-hydroxy derivative of dotriacontanoic acid. Its functional parent is dotriacontanoic acid. It is a conjugate acid of omega-hydroxydotriacontanoate. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid . It is also related to or classified as straight-chain fatty acid.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. It has the role of metabolite. It is a conjugate acid of dotriacontanoate. It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as straight-chain saturated fatty acid.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is the (R)-2-hydroxy derivative of octacosanoic acid. It is a conjugate acid of (R)-2-hydroxyoctacosanoate. It is also related to or classified as 2-hydroxyoctacosanoic acid .
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCC</smiles> is A dihydroceramide in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid. It is also related to or classified as N-acylsphinganine .
The molecule <smiles>CN(C)c1ccc(cc1)C(c1ccc(OCCCC(=O)NCCNC(=O)CCC(=O)NCCOCCOCCN)cc1)=C1C=CC(C=C1)=[N+](C)C</smiles> is an iminium ion consisting of malachite green cation, substituted at the para position of the otherwise unsubstituted phenyl group with a diethylene glycol diamine linker, the terminal amino group of which may form part of a fluorogen activating protein (FAP). It has the role of fluorogen. Its functional parent is malachite green cation. It is also related to or classified as iminium ion.
The molecule <smiles>c1ccc(cc1)C(c1ccccc1)c1ccccc1</smiles> is A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes. It has the role of xenobiotic. It has the role of environmental contaminant. It is also related to or classified as triarylmethane.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O</smiles> is A trienoic fatty acid that is heptadecenoic acid having three double bonds located at postions 8, 11 and 14 (the 8Z,11Z,14Z-geoisomer). It is a conjugate acid of (8Z,11Z,14Z)-heptadecatrienoate. It is also related to or classified as long-chain fatty acid . It is also related to or classified as straight-chain fatty acid, trienoic fatty acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(=O)OCCN</smiles> is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as oleoyl. Its functional parent is oleic acid. It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as lysophosphatidylethanolamine 18:1 .
The molecule <smiles>CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C</smiles> is A diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the pro-R position. It is also related to or classified as protopanaxadiol .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC[C@@H](OO)C(O)=O</smiles> is A hydroperoxy fatty acid that is alpha-linolenic acid having a single hydroperoxy substituent located at the 2R-position. Its functional parent is alpha-linolenic acid. It is a conjugate acid of (R)-2-hydroperoxy-alpha-linolenate.  It is also related to or classified as (2R)-hydroperoxy fatty acid . It is also related to or classified as hydroperoxyoctadecatrienoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(=O)OCCN</smiles> is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as linoleoyl. It has the role of human metabolite. Its functional parent is linoleic acid. It is also related to or classified as lysophosphatidylethanolamine (0:0/18:2) .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is the (R)-2-hydroxy derivative of hexacosanoic acid. Its functional parent is hexacosanoic acid. It is a conjugate acid of (R)-2-hydroxyhexacosanoate. It is also related to or classified as 2-hydroxy fatty acid . It is also related to or classified as very long-chain fatty acid .
The molecule <smiles>O.[Na+].Cc1ccc(Cl)c(Nc2ccccc2C([O-])=O)c1Cl</smiles> is A hydrate that is the monohydrate of the sodium salt of meclofenamic acid. It is used for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug. It has the role of analgesic. It has the role of antipyretic. It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It has the role of antineoplastic agent. It has the role of anticonvulsant. It has the role of antirheumatic drug. It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is also related to or classified as hydrate.
The molecule <smiles>CC1OC(=C)C(=O)C1=O</smiles> is an alpha-diketone that is the 3,4-diketo derivative of 2-methyl-5-methylenefuran. It is also related to or classified as furans, alpha-diketone.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC[C@@H](O)C(O)=O</smiles> is A HOTrE that is alpha-linolenic acid substituted at position 2 by a hydroxy group (the R-enantiomer). Its functional parent is alpha-linolenic acid. It is a conjugate acid of (R)-2-hydroxy-alpha-linolenate. It is also related to or classified as 2-hydroxy fatty acid . It is also related to or classified as HOTrE.
The molecule <smiles>CCCCC1C(=O)NN(C1=O)c1ccccc1</smiles> is A pyrazolidine that is phenylbutazone lacking one of the phenyl substituents. It is used for treatment of joint and muscular pain. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It is also related to or classified as pyrazolidines.
The molecule <smiles>CCCCC1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1</smiles> is A metabolite of phenylbutazone obtained by hydroxylation at position 4 of one of the phenyl rings. Commonly used (as its hydrate) to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has the role of antimicrobial agent. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of antineoplastic agent. It has the role of gout suppressant. It has the role of drug metabolite. It has the role of xenobiotic metabolite. Its functional parent is phenylbutazone. It is also related to or classified as phenols . It is also related to or classified as pyrazolidines.
The molecule <smiles>CC1=C(O)C(=O)C(=C)O1</smiles> is A member of the class of furans that is 5-methyl-2-methylenefuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively.  It is also related to or classified as enol .  It is also related to or classified as enone . It is also related to or classified as furans, cyclic ketone.
The molecule <smiles>Cc1oc(C)c([O-])c1O</smiles> is an organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3. It is also related to or classified as organic anion.
The molecule <smiles>O.CCCCC1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1</smiles> is A hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has the role of antimicrobial agent. It has the role of non-steroidal anti-inflammatory drug. It has the role of non-narcotic analgesic. It has the role of antipyretic. It has the role of antineoplastic agent. It has the role of gout suppressant. It is also related to or classified as hydrate.
The molecule <smiles>C[C@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-4-dehydro-6-deoxy-alpha-D-gulose. It is also related to or classified as nucleotide-sugar oxoanion.