anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C\C(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)=C/CO C\C(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)=C/CO is A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 13 (the latter with E-stereochemistry) and carries a hydroxy group at the terminal C-15 position. It has the role of metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as labdane diterpenoid .
The molecule CC(=O)Nc1cccc(O)c1 CC(=O)Nc1cccc(O)c1 is A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug. It has the role of non-narcotic analgesic .  It is also related to or classified as phenols  . It is also related to or classified as acetamides .
The molecule [O-]C(=O)C(=C)Oc1cccc(c1)C([O-])=O [O-]C(=O)C(=C)Oc1cccc(c1)C([O-])=O is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-[(1-carboxyvinyl)oxy]benzoic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule C\C(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO C\C(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO is A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 13 (the latter with E-stereochemistry) and carries a hydroxy group at the terminal C-15 position. It has the role of metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as labdane diterpenoid .
The molecule OC[C@](COC(CCCCCCC)=O)(OC(=O)CCCCCCC)[H] OC[C@](COC(CCCCCCC)=O)(OC(=O)CCCCCCC)[H] is A 2,3-diacyl-sn-glycerol in which both the 2- and 3-acyl groups are specified as octanoyl. It is also related to or classified as 2,3-diacyl-sn-glycerol  . It is also related to or classified as dioctanoylglycerol  .
The molecule O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 is an extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14). It has the role of EC 1.14.14.14 (aromatase) inhibitor . It has the role of aryl hydrocarbon receptor agonist . It has the role of aryl hydrocarbon receptor antagonist . It is also related to or classified as naphtho-gamma-pyrone , extended flavonoid , organic heterotricyclic compound .
The molecule CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC is 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5. It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as dioctanoylglycerol  .
The molecule CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@@H](O)CO CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OC[C@@H](O)CO is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) obtained by deprotonation of the phosphate group of 1-oleoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC is A D-galactosyl-N-acylsphingosine where the ceramide N-acyl group is nervonoyl [(15Z)-tetracos-15-enoyl] and the D-galactosyl component has beta anomeric configuration. It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule C[C@](O)(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C C[C@](O)(CC[C@@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C is A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 14 and carries an S-hydroxy group at position 13. It has the role of metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as labdane diterpenoid .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[Se]SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1[Se]SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O is A glutathione conjugate obtained by formation of a thioselenide link between the thiol group of glutathione and the selenol group of 1-seleno-N-acetyl-D-galactosamine. It has the role of human xenobiotic metabolite . Its functional parent is N-acetyl-beta-D-galactosamine . It is also related to or classified as glutathione conjugate , organoselenium compound , monosaccharide derivative , thioselenide .
The molecule C[Se][C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O C[Se][C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O is A monosaccharide derivative that is  N-acetyl-beta-D-galactosamine in which the anomeric hydroxy group is replaced by a methylseleno group. It has the role of human xenobiotic metabolite . Its functional parent is methyl N-acetyl-beta-D-galactosaminide . It is also related to or classified as organoselenium compound , monosaccharide derivative .
The molecule NC(=O)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC(=O)CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A glycine derivative that is glycinamide in which one of the amino hydrogens is replaced by a 9-beta-D-ribofuranosylpurin-6-yl group. Its functional parent is adenosine . It is also related to or classified as amino acid amide , glycine derivative , nucleoside analogue .
The molecule C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O is A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. It has the role of estrogen receptor agonist . It has the role of xenoestrogen . Its functional parent is 17beta-estradiol . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as benzoate ester .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1C CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1C is A macrolide antibiotic that is 20-oxotylactone having a 5-O-beta-D-mycaminosyl residue attached at position 6. Its functional parent is tylactone . It is also related to or classified as aldehyde  .  It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .
The molecule NC(=O)c1ccc[n+](c1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is an organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of alpha-NAD(1+); major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) obtained by deprotonation of the phosphate group of 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1CO CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(C)=C\[C@@H]1CO is A macrolide antibiotic that is tylonolide having a beta-D-mycaminosyl residue attached at position 5. Its functional parent is tylactone . It is also related to or classified as aldehyde  .  It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , monosaccharide derivative .
The molecule [10B] [10B] is A stable isotope of boron with relative atomic mass 10.0129370, 19.9 atom percent natural abundance and nuclear spin 3+. It is also related to or classified as boron atom  .
The molecule OCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O OCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .
The molecule N[C@@H](Cn1ccc(=O)o1)C(O)=O N[C@@H](Cn1ccc(=O)o1)C(O)=O is A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-2-yl group. It has the role of plant metabolite . It is also related to or classified as isoxazoles  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-alanine derivative .
The molecule OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(O)=O is A disaccharide consisting beta-D-glucosyl and D-gluconic acid residues joined by a (1->4)-linkage. It has the role of metabolite . Its functional parent is cellobiose . It is a conjugate acid of cellobionate .  It is also related to or classified as disaccharide  . It is also related to or classified as carbohydrate acid .
The molecule O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 is an extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone. It has the role of aryl hydrocarbon receptor agonist . It is also related to or classified as naphtho-gamma-pyrone , extended flavonoid , organic heterotricyclic compound .
The molecule N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O is A selenoamino acid that is L-selenomethionine in which the methyl group attached to the selenium is replaced by a 5'-adenosyl group. It has the role of metabolite . Its functional parent is adenosine . Its functional parent is L-selenomethionine . It is also related to or classified as adenosines , selenoamino acid .
The molecule C[Se](O)=O C[Se](O)=O is an organoselenium compound that is seleninic acid in which the hydrogen attached to selenium is replaced by a methyl group. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of human xenobiotic metabolite . Its functional parent is seleninic acid . It is also related to or classified as organoselenium compound , one-carbon compound .
The molecule OC[C@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O is A disaccharide consisting beta-D-glucosyl and D-glucuronic acid residues joined by a (1->3)-linkage. Its functional parent is cellobiose . It is a conjugate acid of 3-O-beta-D-glucosyl-D-glucuronate . It is also related to or classified as glycosylglucopyranuronic acid , carbohydrate acid .
The molecule C[C@H]([C@H](N)C(O)=O)c1ccccc1 C[C@H]([C@H](N)C(O)=O)c1ccccc1 is A  non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which one of the benzyl hydrogens is replaced by a methyl group (the 3S-stereoisomer). Its functional parent is L-phenylalanine . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1 is A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum). It has the role of mucolytic . It is also related to or classified as organobromine compound  . It is also related to or classified as substituted aniline , tertiary amino compound .
The molecule N[C@@H](Cc1c[nH]oc1=O)C(O)=O N[C@@H](Cc1c[nH]oc1=O)C(O)=O is A member of the class of isoxazoles that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-4-yl group. It has the role of plant metabolite . It is also related to or classified as isoxazoles  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-alanine derivative .
The molecule NC(=O)c1ccc[n+](c1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)c1ccc[n+](c1)[C@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is an organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of alpha-NADP(+); major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of trans-2-tetradecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 is A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion. It has the role of surfactant . It has the role of antiseptic drug . It has the role of EC 2.7.11.18 (myosin-light-chain kinase) inhibitor . It is also related to or classified as bromide salt , pyridinium salt .
The molecule N[C@@H]1c2ccc(O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2 N[C@@H]1c2ccc(O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C(O)=O)c5O)c(Cl)c4)NC1=O)c2 is A cyclic peptide antibiotic that is A47934 lacking the O-sulfo group; it is produced by a strain of Streptomyces toyocaensis. It has the role of fungal metabolite . It is a conjugate acid of A41030A(1-) .    It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , peptide antibiotic , polyphenol , cyclic ether .
The molecule OCCCCCCCCCCCCCC([O-])=O OCCCCCCCCCCCCCC([O-])=O is A omega-hydroxy-long-chain fatty acid anion that is the conjugate base of 14-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is tetradecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion  .
The molecule COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC is A racemate comprising equimolar amounts of (R,R)- and (S,S)-pavine. It has the role of plant metabolite . It is also related to or classified as racemate .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of 3-oxotetradecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)CCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of (S)-3-hydroxytetradecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC COc1cc2CC3NC(Cc4cc(OC)c(OC)cc34)c2cc1OC is an isoquinoline alkaloid that is 5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene substituted at positions 2, 3, 8 and 9 by methoxy groups. It is also related to or classified as isoquinoline alkaloid , aromatic ether , organic heterotetracyclic compound , secondary amino compound .
The molecule Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O is an N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide that has R configuration. It is also related to or classified as N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide  .
The molecule CC(C)C(Br)C(=O)NC(N)=O CC(C)C(Br)C(=O)NC(N)=O is an N-acylurea that is urea in which one of the hydrogens is replaced by a 2-bromo-3-methybutanoyl group. It is also related to or classified as organobromine compound  . It is also related to or classified as N-acylurea .
The molecule C[Se+](C)C C[Se+](C)C is an organic cation consisting of three methyl groups covalently bound to a central selenium atom. It has the role of human xenobiotic metabolite . Its functional parent is dimethylselenide . It is also related to or classified as organic cation .
The molecule Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O is an N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide that has S configuration. It is also related to or classified as N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide  .
The molecule Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O is an aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. It is also related to or classified as nitrile  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as phenols  . It is also related to or classified as organoiodine compound  . It is also related to or classified as aromatic amide , monochlorobenzenes .
The molecule CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC is an organic cation that is the conjugate acid of 4-O-methylrhodomycin D, obtained by protonation of the amino group; major species at pH 7.3. It is a conjugate acid of 4-O-methylrhodomycin D . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule COc1cc2CC3N(C)C(Cc4cc(OC)c(OC)cc34)c2cc1OC COc1cc2CC3N(C)C(Cc4cc(OC)c(OC)cc34)c2cc1OC is an isoquinoline alkaloid that is 13-methyl-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulene substituted at positions 2, 3, 8 and 9 by methoxy groups. It is also related to or classified as isoquinoline alkaloid , aromatic ether , organic heterotetracyclic compound , tertiary amino compound .
The molecule CCc1ccc(cc1)C(=O)[C@H](C)CN1CCCCC1 CCc1ccc(cc1)C(=O)[C@H](C)CN1CCCCC1 is A 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one that has R configuration. It is also related to or classified as 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one  .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of (3R)-hydroxyhexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CCCCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of (2E)-hexadecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of 3-oxohexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule OC(=O)CC[C@H](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O OC(=O)CC[C@H](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O is an N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl. It has the role of iron chelator . It has the role of human metabolite . Its functional parent is citric acid . It is also related to or classified as N-acyl-L-glutamic acid , tetracarboxylic acid .
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of tetradecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide composed of one  N-acetyl-L-aspartic acid and two L-glutamic acid units joined in sequence. It is a conjugate acid of Ac-Asp-Glu-Glu(4-) . It is also related to or classified as tripeptide  .
The molecule CCc1ccc(cc1)C(=O)C(C)CN1CCCCC1 CCc1ccc(cc1)C(=O)C(C)CN1CCCCC1 is an aromatic ketone that is N-propylpiperidine in which a hydrogen at positon 2 of the propyl group is replaced by a p-ethylbenzoyl group. It is also related to or classified as piperidines , aromatic ketone .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A  1-acyl-2-arachidonoyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-)  .