anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)([O-])=O)O)([O-])=O)COC(CCCCCCC/C=C\CCCCCCCC)=O [C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)(COP(OCC(COP(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(CCCCCCC/C=C\CCCCCCCC)=O)([O-])=O)O)([O-])=O)COC(CCCCCCC/C=C\CCCCCCCC)=O is 1,1',2-trioleoyl-2'-linoleoyl-cardiolipin(2-). Its functional parent is linoleate . Its functional parent is oleate . It is also related to or classified as cardiolipin 72:5(2-)  .
The molecule NC(=O)C[C@@H]([NH3+])C([O-])=O NC(=O)C[C@@H]([NH3+])C([O-])=O is A D-alpha-amino acid zwitterion that is D-asparagine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)O)CCC(=O)N C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)O)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of L-glutamine. Its functional parent is L-glutamic acid . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule CN(C(=O)C1=CC2=C(OC(F)(F)O2)C=C1)C1=CC=CC(C(=O)NC2=C(Br)C=C(C=C2OC(F)F)C(F)(C(F)(F)F)C(F)(F)F)=C1F CN(C(=O)C1=CC2=C(OC(F)(F)O2)C=C1)C1=CC=CC(C(=O)NC2=C(Br)C=C(C=C2OC(F)F)C(F)(C(F)(F)F)C(F)(F)F)=C1F is A benzamide resulting from the formal condensation of the carboxy group of 3-{[(2,2-difluoro-1,3-benzodioxol-5-yl)carbonyl](methyl)amino}-2-fluorobenzoic acid with the amino group of 2-bromo-6-(difluoromethoxy)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline. It is an insecticide developed by Jiangsu Yangnong Chemical Co., Ltd. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .      It is also related to or classified as monofluorobenzenes  . It is also related to or classified as benzamides , aromatic ether , bromobenzenes , benzodioxoles , organofluorine insecticide .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-valine. Its functional parent is L-valine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule O1C(C1)(COC(=O)C(CC)C)C2=C(OC(=O)C(C)C)C=C(C=C2)C O1C(C1)(COC(=O)C(CC)C)C2=C(OC(=O)C(C)C)C=C(C=C2)C is 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule OC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 OC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 is A organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position. Its functional parent is acetic acid . It is also related to or classified as monocarboxylic acid , monochlorobenzenes .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=CC(=CC1)O)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=CC(=CC1)O)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine  with the amino group of L-tyrosine. Its functional parent is L-tyrosine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule OC(=O)\C=C\C=C\C=C\CCCCCCCCCCCCCCCCCCCCCC OC(=O)\C=C\C=C\C=C\CCCCCCCCCCCCCCCCCCCCCC is Nonacosa-trienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)CC1=CNC2=C1C=CC=C2)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)CC1=CNC2=C1C=CC=C2)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of  L-tryptophan. Its functional parent is L-tryptophan . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule CC(C)C(\C([O-])=O)=C\C([O-])=O CC(C)C(\C([O-])=O)=C\C([O-])=O is dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as dicarboxylic acid dianion  .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=CC=CC1)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=CC=CC1)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-phenylalanine. Its functional parent is L-phenylalanine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo]4(=O)(SC5=C(S4)[C@]4([H])NC6=C(N[C@]4([H])O[C@@H]5COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C4N=C(N)NC5=O)N=C(N)NC6=O)S1)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC4=C1N=C(N)NC4=O)O2)C(=O)NC(N)=N3 [H][C@]12NC3=C(N[C@@]1([H])C1=C(S[Mo]4(=O)(SC5=C(S4)[C@]4([H])NC6=C(N[C@]4([H])O[C@@H]5COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=NC5=C4N=C(N)NC5=O)N=C(N)NC6=O)S1)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC4=C1N=C(N)NC4=O)O2)C(=O)NC(N)=N3 is an Mo-molybdopterin cofactor comprising two molecules of molybdopterin guanine dinucleotide attached via their sulfur atoms to a central Mo(=O) moiety. It is a conjugate acid of Mo(=O)-bis(molybdopterin guanine dinucleotide)(4-) . It is also related to or classified as Mo-molybdopterin cofactor , molybdopterin dinucleotide .
The molecule COc1ccc(cc1)C1COc2cc(O)cc(O)c2C1=O COc1ccc(cc1)C1COc2cc(O)cc(O)c2C1=O is A hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. It has the role of metabolite . It has the role of antifungal agent . Its functional parent is biochanin A . It is a conjugate acid of 2,3-dihydrobiochanin A(1-) . It is also related to or classified as hydroxyisoflavanone , methoxyisoflavanone .
The molecule CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxyhexanoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-leucine. Its functional parent is L-leucine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule O1C(C(O)(C)C)CC2=C1N(C3=C(C2=O)C=C(O)C=C3)C O1C(C(O)(C)C)CC2=C1N(C3=C(C2=O)C=C(O)C=C3)C is Ribaline. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCC(=O)N N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCC(=O)N is A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of  L-asparagine. Its functional parent is L-asparagine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .
The molecule O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)C7(C)C)[H])[H])C O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)C7(C)C)[H])[H])C is Siamenoside I.  It is also related to or classified as glycoside  . It is also related to or classified as cucurbitacin .
The molecule C(=O)([C@@H](N)CC(=O)O)N[C@H](C(=O)O)[C@H](O)C C(=O)([C@@H](N)CC(=O)O)N[C@H](C(=O)O)[C@H](O)C is A dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid with the amino group of L-threonine. Its functional parent is L-threonine . Its functional parent is L-aspartic acid . It is also related to or classified as dipeptide  .
The molecule O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(O)C=C3 O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(O)C=C3 is Sphaerosin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CSCC[C@H](NC(=O)[C@@H]([NH3+])CC([O-])=O)C([O-])=O CSCC[C@H](NC(=O)[C@@H]([NH3+])CC([O-])=O)C([O-])=O is A peptide anion obtained by deprotonation of both carboxy groups and protonation of the aspartyl amino group of Asp-Met. Major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule C1=CC=CC(C(C2=CC=CC=C2)(C(OCC3[N+](CCCC3)(C)C)=O)O)=C1.S(=O)(=O)(OC)[O-] C1=CC=CC(C(C2=CC=CC=C2)(C(OCC3[N+](CCCC3)(C)C)=O)O)=C1.S(=O)(=O)(OC)[O-] is bevonium methyl sulfate. It is also related to or classified as piperidines , glycolate ester , azaheterocycle sulfate salt .
The molecule C(=O)([C@@H](N)CC(=O)O)N[C@H](C(=O)O)CCSC C(=O)([C@@H](N)CC(=O)O)N[C@H](C(=O)O)CCSC is A dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid  with the amino group of L-methionine. Its functional parent is L-methionine . Its functional parent is L-aspartic acid . It is a conjugate acid of Asp-Met(1-) . It is also related to or classified as dipeptide  .
The molecule S1[C@]2(N(CCC2)[C@@H](S[C@@H]1C)C)[H] S1[C@]2(N(CCC2)[C@@H](S[C@@H]1C)C)[H] is Pyrrolidino-[1,2E]-4H-2,4-dimethyl-1,3,5-dithiazine. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule OC(=O)C=CC=CC=CCCCCCCCCCCCCCCCCC OC(=O)C=CC=CC=CCCCCCCCCCCCCCCCCC is Tetracosatrienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)CC1=CNC2=C1C=CC=C2 C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)CC1=CNC2=C1C=CC=C2 is A dipeptide obtained by formal condensation of the carboxy group of  L-asparagine with the amino group of L-tryptophan. Its functional parent is L-tryptophan . Its functional parent is L-asparagine . It is also related to or classified as dipeptide  .
The molecule [H][C@@]12CC[C@]3([H])[C@@](C1)(C[C@@]2(C)O)[C@@H](C(O)=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O [H][C@@]12CC[C@]3([H])[C@@](C1)(C[C@@]2(C)O)[C@@H](C(O)=O)[C@]1([H])[C@@]2(C)[C@@H](O)CC[C@@]31OC2=O is A C19-gibberellin, initially identified in Gibberella fujikuroi; it differs from gibberellin A1 in the absence of an OH group at C-7 and the substitution of the methylidene grouping at C-8 by alpha-OH and beta-Me groups (gibbane numberings).  It is also related to or classified as lactone  . It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)CC1=CC=CC=C1 C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)CC1=CC=CC=C1 is A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-phenylalanine. Its functional parent is L-asparagine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .
The molecule C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@@H]1OC)C)C is 2-methoxy-N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O is a branched N-glycan derivative that is an undecasaccharide derivative consisting of nine D-mannosyl residues and two N-acetylglucosamine residues (one at the reducing end). It is a N-glycan derivative, a high-mannose oligosaccharide and a polysaccharide derivative.
The molecule C[C@H](C1=CNC2=CC=CC=C21)[C@@H](C(=O)[O-])O is a (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an indolmycenic acid.
The molecule O([C@@H]1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO is an L-Fucp-(1->2)-[D-Galp-(1->3)]-D-Galp in which the disubstituted D-galactosyl residue has beta- configuration at the anomeric centre, while the L-fucosyl group at position 2 and the D-galactosyl group at position 3 have alpha- and beta- configuration, respectively. It is also related to or classified as L-Fucp-(1->2)-[D-Galp-(1->3)]-D-Galp  .
The molecule C(/C=C/CCC)(O)=O C(/C=C/CCC)(O)=O is the (E)-stereoisomer of hexenoic acid. It has the role of metabolite . It is a conjugate acid of (2E)-hexenoate . It is also related to or classified as 2-hexenoic acid  .
The molecule CC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)N)O)O is a pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature. It has a role as a metabolite and a coenzyme.
The molecule [H+].[Cl-].Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C [H+].[Cl-].Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C is the hydrochloride salt of alosetron. It has the role of serotonergic antagonist . It has the role of antiemetic . It is also related to or classified as hydrochloride .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)O)NC(=O)C)O)O)O is a branched amino tetrasaccharide comprised of a trisaccharide chain of N-acetyl-alpha-neuraminic acid, 6-O-sulfo-beta-D-glactose and N-acetyl-beta-D-glucosamine residues linked sequentially (2->3) and (1->4), to the GlcNAC residue of which is also linked (1->3) an alpha-L-fucose residue. It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
The molecule C[C@]12CC[C@@](C[C@H]1[C@@]3(CC[C@]4(C5=CC(=C(C(=C5C(=O)C=C4[C@]3(CC2)C)CO)OC)O)C)C)(C)C(=O)O is a pentacyclic triterpenoid with formula C30H40O6, originally isolated from Tripterygium hypoglaucum. It has a role as a plant metabolite. It is a carbopolycyclic compound, an enone, an oxo monocarboxylic acid, an aromatic primary alcohol, a pentacyclic triterpenoid, a cyclic terpene ketone and a member of guaiacols.
The molecule C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO C[C@@H]1CN(C(=O)CCCN2C(=CN=N2)CO[C@@H]1CN(C)CC3=CC4=C(C=C3)OCO4)[C@@H](C)CO is (8R,9S)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O is a member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which a hydrogen at the 3 pro-S position is replaced by a 3-oxododecanamido group. It has a role as an epitope. It derives from a 3-oxolauric acid.
The molecule [Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O [Na+].OCCN1CCN(CC1)CCS([O-])(=O)=O is sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate. It is also related to or classified as organic sodium salt , N-(2-hydroxyethyl)piperazine , N-(sulfoalkyl)piperazine .
The molecule COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC(=C(C=C3)O)OC)O is the conjugate acid of nororientaline; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a nororientaline.
The molecule CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. It has a role as an antineoplastic agent. It is a member of xanthones and a monocarboxylic acid.
The molecule OCCCCCCCC\C=C/CCCCCCCC(O)=O OCCCCCCCC\C=C/CCCCCCCC(O)=O is an omega-hydroxy fatty acid that is 18-hydroxyoctadecanoic acid which has been dehydrogenated to introduce a trans double bond at the 9-10 position. It has the role of plant metabolite . Its functional parent is oleic acid . It is a conjugate acid of 18-hydroxyoleate .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid .
The molecule C#CCOCCOCCOCCC(C(=O)NCCN(CC(=O)NCCN)CC(=O)NCCN)C(=O)NCCN(CC(=O)NCCN)CC(=O)NCCN is a dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2.
The molecule C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C(=C3)CO)O is a monohydroxyanthraquinone that is 9,10-anthraquinone substituted by a hydroxy group at position 2 and a hydroxymethyl group at position 3. It has been isolated from the roots of Rubia yunnanensis. It has a role as an antineoplastic agent and a plant metabolite. It is a primary alcohol and a monohydroxyanthraquinone.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(5R,6R,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O is a monosaccharide derivative resulting from the formal condensation of the hydroxy group of 2-methyl-4-oxo-4H-pyran-3-yl beta-D-glucopyranoside with the carboxy group of 3-hydroxy-3-methylglutaric acid. It has a role as a plant metabolite. It is a dicarboxylic acid monoester, a tertiary alcohol, a monosaccharide derivative and a beta-D-glucoside. It derives from a 3-hydroxy-2-methyl-4-pyrone, a beta-D-glucose and a 3-hydroxy-3-methylglutaric acid.
The molecule O1CCC2=C1N=C3C(=C2)C=CC=C3OC O1CCC2=C1N=C3C(=C2)C=CC=C3OC is 2,3-dihydro-8-methoxyfuro(2,3-b)quinoline. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-] is a thiourea resulting from the formal condensation of the secondary amino group of 1-methylpiperazine and the primary amino group of N-(4-nitrophenyl)benzene-1,4-diamine with carbonothioic O,O-acid. It has a role as an antinematodal drug. It is a C-nitro compound, a N-methylpiperazine, a member of thioureas and a secondary amino compound. It derives from a diphenylamine.
The molecule OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CCCc1ccccc1)CCCc1ccccc1 OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CCCc1ccccc1)CCCc1ccccc1 is the citrate salt of alverine, resulting from the reaction of equimolar amounts of alvarine and citric acid. An antispasmodic that acts directly on intestinal and uterine smooth muscle, it is used in the treatment of irritable bowel syndrome. It has the role of cholinergic antagonist . It has the role of antispasmodic drug . It is also related to or classified as organoammonium salt , citrate salt .
The molecule C1CCC(CC1)NC(=O)N2CC3(C2)[C@@H]([C@@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 C1CCC(CC1)NC(=O)N2CC3(C2)[C@@H]([C@@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 is (2R,3R)-N-cyclohexyl-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule Cl.CCN(CCCc1ccccc1)CCCc1ccccc1 Cl.CCN(CCCc1ccccc1)CCCc1ccccc1 is the hydrochloride salt of alverine. It has the role of antispasmodic drug . It is also related to or classified as hydrochloride , organoammonium salt .
The molecule CCCCCCCCCCCCCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methyl-3-oxopalmitic acid. It is a long-chain fatty acyl-CoA, a methyl-branched fatty acyl-CoA and a 3-oxo-fatty acyl-CoA. It is a conjugate acid of a 2-methyl-3-oxopalmitoyl-CoA(4-).
The molecule CCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](C(=O)N[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)[C@@H]([C@H](CCCCCCCCCCCCCC)O)O)O)O is a ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a (4S)-N-(2,3-dihydroxytetracosanoyl)-4-hydroxysphinganine. It is a conjugate acid of an Ins-1-P-Cer(t18:0/2,3-OH-24:0)(1-).
The molecule C[C@@]12CC[C@H]3[C@]([C@H](CC(=O)[C@@]3([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)(C)CO is a triterpenoid saponin that is olean-12-ene attached to hydroxy groups at positions 3 and 23, oxo groups at positions 1 and 28 and a beta-D-glucopyranosyloxy group at position 28. It has been isolated from the leaves and twigs of Juglans sinensis. It has a role as a plant metabolite. It is a triterpenoid saponin, a carboxylic ester, a monosaccharide derivative, a pentacyclic triterpenoid, a beta-D-glucoside and a cyclic terpene ketone. It derives from a hydride of an oleanane.
The molecule C[C@H]1C[C@@]2([C@H]3CC[C@@H]4[C@]5(CC[C@@H]([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C(C1)(C)C)C)C)[C@H](C)CC[C@H]([C@H]([C@H](CO)O)O)O)C)C is a hopanoid that consists of bacteriohopane-32,33,34,35-tetrol carrying an additional methyl substituent at the 2beta-position. It has a role as a bacterial metabolite. It is a hopanoid and a pentacyclic triterpenoid. It derives from a bacteriohopane-32,33,34,35-tetrol.
The molecule CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is the purine ribonucleoside 5'-monophosphate that is AMP monomethylated on N(6). Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of N(6)-methyl-AMP(2-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N is a dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-aspartic acid and a L-histidine.
The molecule C(\CC)=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O C(\CC)=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is (2E,5Z,8Z,11Z,14Z,17Z)-icosahexaenoyl-CoA(4-). Its functional parent is (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA(4-) . It is also related to or classified as 2,3-trans-enoyl CoA(4-)  .
The molecule CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=C(C=C3)C CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=C(C=C3)C is 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[[(4-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester. It is also related to or classified as indolyl carboxylic acid .