anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1 O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1 is A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor . It is also related to or classified as hydrate .
The molecule [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O is A gibberellin ester that is the methyl ester of gibberellin A4. Its functional parent is gibberellin A4 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .
The molecule CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-valine, and L-tyrosine units joined in sequence by peptide linkages. Its functional parent is L-valine . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .
The molecule CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12 CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12 is A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has the role of beta-adrenergic antagonist .   It is also related to or classified as secondary alcohol  . It is also related to or classified as benzimidazoles , aromatic ether , secondary amino compound .
The molecule CNc1c(C)n(C)n(-c2ccccc2)c1=O CNc1c(C)n(C)n(-c2ccccc2)c1=O is A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of opioid 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 peripheral nervous system drug . Its functional parent is antipyrine . It is also related to or classified as pyrazoles , secondary amino compound .
The molecule N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O is A ten-membered oligopeptide comprising D-arginyl, L-arginyl, L-prolyl, (4R)-4-hydroxy-L-prolyl, glycyl, L-phenylalanyl, L-seryl, D-phenylalanyl, L-phenylalanyl and L-arginine residues joined in sequence. It has the role of bradykinin receptor antagonist . Its functional parent is bradykinin . It is also related to or classified as oligopeptide  .
The molecule N[C@@H](CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O N[C@@H](CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of L-aspartic acid, glycine, and L-proline units joined in sequence. Its functional parent is glycine . Its functional parent is L-aspartic acid . Its functional parent is L-proline . It is also related to or classified as tripeptide  .
The molecule Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 is A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group. It has the role of analgesic . It has the role of neuroprotective agent . It has the role of apoptosis inhibitor . It is also related to or classified as organic heterotricyclic compound , morpholines , naphthyl ketone , synthetic cannabinoid .
The molecule CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12 is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has the role of beta-adrenergic antagonist .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , indanes , secondary amino compound .
The molecule [H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C [H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C is A triterpene that is (13alpha,14beta,17alpha,20S)-lanostane. It is also related to or classified as triterpene  .
The molecule CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O is A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt(II)-factor III; major species at pH 7.3. It is also related to or classified as precorrin carboxylic acid anion .
The molecule CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine. It has the role of antineoplastic agent .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as isoquinolines , aromatic amide , monochlorobenzenes .
The molecule O=NN1CCSC1 O=NN1CCSC1 is N-nitroso-1,3-thiazolidine.  It is also related to or classified as nitrosamine  . It is also related to or classified as thiazolidines .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprising five deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .
The molecule CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O is A tetrapeptide composed of L-alanine, L-leucine, L-threonine, and L-proline units joined in sequence. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-threonine . Its functional parent is L-alanine . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .
The molecule COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12 COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12 is an aminobenzoate that is the conjugate base of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as aminobenzoate .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O is A tripeptide composed of three L-alanine units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tetrapeptide composed of two L-alanine units linked to two L-aspartic acid units by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tetrapeptide  .
The molecule CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1 CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1 is A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. It has the role of dopaminergic antagonist . It is also related to or classified as benzazepine  . It is also related to or classified as organochlorine compound  . It is also related to or classified as tertiary amino compound .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O is A tripeptide composed of two L-alanine units and a glycine joined by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12 COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12 is an aminobenzoic acid that is anthranilic acid substituted at position 5 by a (1-methoxy-2-methylindolizin-3-yl)carbonyl group. It has the role of antineoplastic agent . It has the role of fibroblast growth factor receptor antagonist . Its functional parent is anthranilic acid . It is a conjugate acid of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate . It is also related to or classified as aminobenzoic acid , aromatic ether , indolizines , aromatic ketone .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of two L-alanyl units and an L-proline joined by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-proline . It is also related to or classified as tripeptide  .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprising ten deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .
The molecule Nc1ccc(cc1)C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N\C#N Nc1ccc(cc1)C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N\C#N is A benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has the role of H2-receptor antagonist . It is also related to or classified as nitrile  . It is also related to or classified as benzamides , guanidines , piperidines , aromatic ether , substituted aniline .
The molecule C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O is A dipeptide composed of L-alanine and L-asparagine units joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-asparagine . It is also related to or classified as dipeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O is A tetrapeptide composed of two L-alanine units joined to two L-proline units by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O is A tetrapeptide composed of L-alanyl, L-asparagyl, L-aspartyl, and L-proline residues joined in sequence. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . Its functional parent is L-asparagine . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprising fifteen deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .
The molecule C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O is A tetrapeptide composed of L-alanyl, L-asparagyl, L-glutamyl, and L-serine residues joined in sequence. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-serine . Its functional parent is L-asparagine . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .
The molecule C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O is A tripeptide composed of L-alanine, L-aspartic acid, and glycine units joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule [I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 [I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1 is A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane. It has the role of cholinergic antagonist . It has the role of muscarinic antagonist . It is also related to or classified as iodide salt , quaternary ammonium salt .
The molecule Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is an oligonucleotide comprising twenty deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .
The molecule CCCN(CCC)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12 CCCN(CCC)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12 is A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors. It has the role of muscarinic antagonist . It is also related to or classified as piperidines , ureas , tertiary amino compound , pyridobenzodiazepine .
The molecule C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O is A tetrapeptide composed of an L-alanyl, two L-asparagyl units, and an L-proline joined by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-asparagine . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .
The molecule CC(=O)OC\C=C\c1ccc(O)cc1 CC(=O)OC\C=C\c1ccc(O)cc1 is A phenylpropanoid that is trans-p-coumaryl alcohol in which the hydrogen from the allylic hydroxy group is replaced by an acetyl group. Its functional parent is trans-p-coumaryl alcohol .  It is also related to or classified as phenols  . It is also related to or classified as acetate ester  . It is also related to or classified as phenylpropanoid .
The molecule C\C=C\c1ccc(O)cc1 C\C=C\c1ccc(O)cc1 is A phenylpropanoid that is phenol substituted at position 4 by a prop-1-enyl group (the trans-isomer). Its functional parent is phenol .  It is also related to or classified as phenols  . It is also related to or classified as phenylpropanoid .
The molecule C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of L-alanine, L-glutamine, and L-proline joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-proline . Its functional parent is L-glutamine . It is also related to or classified as tripeptide  .
The molecule [H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C [H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C is an organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups. It has the role of dopaminergic antagonist .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as amino alcohol , organic heteropentacyclic compound , tertiary amino compound .
The molecule COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC is A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. It has the role of muscarinic antagonist . It is also related to or classified as aromatic ether , tetramine .
The molecule C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-alanine, L-aspartic acid, and L-serine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](N)Cc1c[nH]cn1 C[C@@H](N)Cc1c[nH]cn1 is an aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position (the R-enantiomer). It has the role of H3-receptor agonist . It is also related to or classified as imidazoles , aralkylamino compound .
The molecule C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A tripeptide composed of L-alanine, glycine, and L-histidine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-histidine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tripeptide composed of L-alanine, glycine, and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-alanine . Its functional parent is L-tyrosine . It is also related to or classified as tripeptide  .