anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is an oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-phenylalanine joined in sequence by peptide linkages; corresponds to the sequence in the yellow feverspecific peptide epitope K9F. It has the role of epitope . It is also related to or classified as oligopeptide  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C=C/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 CCCCC\C=C/C\C=C/C\C=C/C\C=C/C=C/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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E,5Z,8Z,11Z,14Z)-icosapentaenoic acid. It is a conjugate acid of (3E,5Z,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O is an oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-alanine joined in sequence by peptide linkages; synthetic variant K9A of the yellow fever specific peptide epitope K9F. It is also related to or classified as oligopeptide  .
The molecule C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\C(O)=O C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\C(O)=O is an O-acylcarnitine in which the acyl group specified is fumaryl. Its functional parent is fumaric acid . It is also related to or classified as O-acylcarnitine .
The molecule CCCCC\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(=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 CCCCC\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(=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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,4E,8Z,11Z,14Z)-icosapentaenoic acid. It is a conjugate acid of (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)\C=C\C(O)=O C[N+](C)(C)C[C@@H](CC([O-])=O)OC(=O)\C=C\C(O)=O is an O-acyl-L-carnitine in which the acyl group is specified as fumaryl. It has the role of metabolite . Its functional parent is fumaric acid . It is also related to or classified as O-acyl-L-carnitine  . It is also related to or classified as O-fumarylcarnitine  .
The molecule CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 is A C-glycosyl comprising beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-(4-ethoxybenzyl)phenyl group. Used (in the form of its propanediol monohydrate) to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes. 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 C-glycosyl compound , aromatic ether , monochlorobenzenes .
The molecule CCCCCC(=O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O CCCCCC(=O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O is A member of the class of prostaglandins A obtained by oxidation of the 15-hydroxy group of prostaglandin A1 to the corresponding ketone. It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is prostaglandin A1 . It is a conjugate acid of 15-dehydroprostaglandin A1(1-) . It is also related to or classified as prostaglandins A  .
The molecule CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C is A C5-acylcarnitine in which the acyl group specified is valeroyl. It has the role of metabolite . Its functional parent is valeric acid . It is also related to or classified as C5-acylcarnitine  .
The molecule CCN=C=S CCN=C=S is an isothiocyanate having an ethyl group attached to the nitrogen. It has the role of allergen . It is also related to or classified as isothiocyanate  .
The molecule CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 CCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 is an organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. It has the role of EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor . Its functional parent is K-252a . It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  .    It is also related to or classified as hemiaminal  . It is also related to or classified as organic heterooctacyclic compound , indolocarbazole , semisynthetic derivative , gamma-lactam .
The molecule CCCCCC(=O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O CCCCCC(=O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of 15-dehydro-prostaglandin A1, obtained by deprotonation of the carboxy group.; major species at pH 7.3. Its functional parent is prostaglandin A1(1-) . It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule S=C=Nc1ccccc1 S=C=Nc1ccccc1 is an isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. It has the role of reagent . It has the role of allergen . It is also related to or classified as isothiocyanate  .
The molecule CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O is an oligopeptide composed of L-lysine, L-threonine, L-tryptophan, glycine, L-asparagine, L-leucine, L-valine and L-valine joined in sequence by peptide linkages; synthetic variant K9V of the yellow fever specific peptide epitope K9F. It is also related to or classified as oligopeptide  .
The molecule CC\C=C/C=C/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 CC\C=C/C=C/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 A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-3-cis-5-octadienoic acid. It is a conjugate acid of trans-3-cis-5-octadienoyl-CoA(4-) .  It is also related to or classified as (3E,5Z)-dienoyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA , unsaturated fatty acyl-CoA .
The molecule CCCCC\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(=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 CCCCC\C=C/C\C=C/C\C=C/CC\C=C\C=C\C(=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 A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (2E,4E,8Z,11Z,14Z)-icosapentaenoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  . It is also related to or classified as 6-saturated-trans,trans-2,4-dienoyl-CoA(4-)  .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H]([C@@H](O)[C@H]1O)C(O)=O CC(=O)N[C@H]1[C@H](O)O[C@H]([C@@H](O)[C@H]1O)C(O)=O is A carbohydrate acid derivative that is alpha-L-talosaminuronic acid in which the hydroxy group at position 2 is substituted by an acetamido group. It is also related to or classified as amino monosaccharide , carbohydrate acid derivative , hexuronic acid derivative .
The molecule CC\C=C/C=C/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 CC\C=C/C=C/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 A trans-3,cis-5-dienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of trans-3-cis-5-octadienoyl-CoA; major species at pH 7.3. It is also related to or classified as (3E,5Z)-dienoyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule CCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCC\C=C/CCCCCC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is A O-hydroxyhexadecenoyl-L-carnitine in which the acyl group specified is 3-hydroxy-(9Z)-hexadecenoyl. It is also related to or classified as O-hydroxyhexadecenoyl-L-carnitine  .
The molecule COC(=O)[C@]1(C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CN(C)C(=O)c4c4c5ccccc5n2c4c13)OC COC(=O)[C@]1(C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CN(C)C(=O)c4c4c5ccccc5n2c4c13)OC is an organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of methyl (3R)-3-methoxy-2-methyltetrahydrofuran-3-carboxylate (the 2S,3R,5R product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1-methyl-1,5-dihydro-2H-pyrrol-2-one. It has the role of EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor . It is also related to or classified as methyl ester  .   It is also related to or classified as hemiaminal  . It is also related to or classified as organic heterooctacyclic compound , indolocarbazole , gamma-lactam .
The molecule CC1(C)Oc2ccc(-c3cc4ccc(O)cc4o3)c(O)c2C=C1 CC1(C)Oc2ccc(-c3cc4ccc(O)cc4o3)c(O)c2C=C1 is A chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6. It has the role of plant metabolite . It is also related to or classified as 1-benzofurans , chromenol .
The molecule CCCC(O)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCC(O)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group specified is 2-hydroxypentanoyl. Its functional parent is 2-hydroxypentanoic acid . It is also related to or classified as hydroxy-fatty acyl-L-carnitine  .
The molecule CCCOc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 CCCOc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccccc5c5c6CNC(=O)c6c(c2c1)c3c45 is an organic heterooctacyclic compound that is 5-propoxy-1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of methyl (3R)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2S,3R,5R product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one. It has the role of EC 2.7.11.18 (myosin-light-chain kinase) inhibitor . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  .   It is also related to or classified as hemiaminal  . It is also related to or classified as organic heterooctacyclic compound , indolocarbazole , gamma-lactam .
The molecule COc1ccc(\C=C\C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1 COc1ccc(\C=C\C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1 is A member if the class of  chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively. It has the role of plant metabolite . It is also related to or classified as chalcones  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether .
The molecule COc1c(ccc2OC(C)(C)C=Cc12)[C@@H]1COc2cc(O)ccc2C1 COc1c(ccc2OC(C)(C)C=Cc12)[C@@H]1COc2cc(O)ccc2C1 is A methoxyisoflavan that is the 2'-O-methyl derivative of (-)-phaseollinisoflavan. It has the role of plant metabolite . Its functional parent is (-)-phaseollinisoflavan . It is also related to or classified as hydroxyisoflavans , methoxyisoflavan .
The molecule NC1=NC(=O)C2NC(=O)CNC2=N1 NC1=NC(=O)C2NC(=O)CNC2=N1 is A dihydropterin that is the 7,8-dihydro derivative of xanthopterin. It has the role of bacterial metabolite . It is also related to or classified as dihydropterin .
The molecule COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(O)c2=O COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(O)c2=O is A tetramethoxyflavone that is  the 5,7,3',4'-tetramethy-derivative of quercetin. It has the role of plant metabolite . Its functional parent is quercetin . It is also related to or classified as flavonols  . It is also related to or classified as tetramethoxyflavone .
The molecule CC(C#N)c1cccc(c1)C(O)=O CC(C#N)c1cccc(c1)C(O)=O is benzoic acid meta-substituted with a 1-cyanoethyl group. It is also related to or classified as benzoic acids .
The molecule COC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(Oc6cc4cc(O)c6C)c5)[C@H](O)c4ccc(Oc5cc3cc(Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)c5O[C@@H]2O[C@H](COC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc4)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc12 COC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@H](NC(=O)[C@H](N)c5ccc(O)c(Oc6cc4cc(O)c6C)c5)[C@H](O)c4ccc(Oc5cc3cc(Oc3ccc(cc3)[C@H]2O[C@@H]2C[C@@H](N)[C@@H](O)[C@H](C)O2)c5O[C@@H]2O[C@H](COC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc4)c2ccc(O)c(c2)-c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc12 is A heterodetic cyclic peptide  that is produced by species of Amycolatopsis and Nocardia. It has the role of antimicrobial agent . It has the role of antibacterial drug . It has the role of platelet-activating factor receptor agonist . It has the role of bacterial metabolite . It is also related to or classified as glycopeptide  .  It is also related to or classified as macrocycle  . It is also related to or classified as heterodetic cyclic peptide , tetrasaccharide derivative .
The molecule COc1c(OC)c(OC)c2c(occ(-c3ccc4OCOc4c3)c2=O)c1OC COc1c(OC)c(OC)c2c(occ(-c3ccc4OCOc4c3)c2=O)c1OC is A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5, 6, 7 and 8 and methylenedioxy group across positions 3' and 4'. It has the role of plant metabolite . It is also related to or classified as 7-methoxyisoflavones  . It is also related to or classified as benzodioxoles .
The molecule COc1cc2c(cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O)occ(-c1ccc(O)cc1)c2=O COc1cc2c(cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O)occ(-c1ccc(O)cc1)c2=O is A glycosyloxyisoflavone that is the 2'',4'',6''-O-triacetyl- derivative of glycitin. It has the role of plant metabolite . Its functional parent is glycitin .   It is also related to or classified as acetate ester  . It is also related to or classified as hydroxyisoflavone , methoxyisoflavone , monosaccharide derivative , glycosyloxyisoflavone .
The molecule CCCCCCC(CCCCCCCCCCC(O)=O)OP(O)(O)=O CCCCCCC(CCCCCCCCCCC(O)=O)OP(O)(O)=O is A carboxyalkyl phosphate that is octadecanoic acid carrying a phosphonooxy substituent at position 12. Its functional parent is octadecanoic acid . It is a conjugate acid of 12-(phosphonooxy)octadecanoate(3-) . It is also related to or classified as carboxyalkyl phosphate .
The molecule OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(O)(=O)=O OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(O)(=O)=O is A member of the class of anthraquinones that is 9,10-anthraquinone substituted at positions 2 and 6 by sulfo groups. Its functional parent is 9,10-anthraquinone . It is a conjugate acid of anthraquinone-2,6-disulfonate . It is also related to or classified as anthraquinone , arenesulfonic acid .
The molecule C12=CC(=CC=C2C(C(=CO1)C=3C=CC(=CC3)OC)=O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O C12=CC(=CC=C2C(C(=CO1)C=3C=CC(=CC3)OC)=O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O is A 4'-methoxyisoflavone that is the 7-O-rutinosyl derivative of formononetin. It has the role of plant metabolite . Its functional parent is formononetin . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as rutinoside  . It is also related to or classified as disaccharide derivative .
The molecule [Co++].CC([O-])=O.CC([O-])=O [Co++].CC([O-])=O.CC([O-])=O is A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is acetate. It is also related to or classified as cobalt salt , acetate salt .
The molecule CC(C)=CCC\C(C)=C\Cc1c(O)ccc2C(=O)C[C@H](Oc12)c1ccc(O)cc1 CC(C)=CCC\C(C)=C\Cc1c(O)ccc2C(=O)C[C@H](Oc12)c1ccc(O)cc1 is A dihydroxyflavanone  that is (2S)-flavanone substituted by hydroxy groups at position 7 and 4' and a geranyl group at position 8. It has the role of plant metabolite . Its functional parent is (2S)-flavanone . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as dihydroxyflavanone .
The molecule CCCCCCC(C\C=C\CCCCCCCC(O)=O)OP(O)(O)=O CCCCCCC(C\C=C\CCCCCCCC(O)=O)OP(O)(O)=O is A carboxyalkyl phosphate that is (9E)-octadecenoic acid carrying a phosphonooxy substituent at position 12. Its functional parent is elaidic acid . It is a conjugate acid of (9E)-12-(phosphonooxy)octadecenoate(3-) . It is also related to or classified as carboxyalkyl phosphate .
The molecule CC(C)(C=C)C1=Cc2c(O)c3ccc(=O)oc3c(c2OC1(C)C)C(C)(C)C=C CC(C)(C=C)C1=Cc2c(O)c3ccc(=O)oc3c(c2OC1(C)C)C(C)(C)C=C is A member of the class of  coumarins that is 2H,8H-pyrano[3,2-g]chromen-2-one substituted by geminal methyl groups at position 8, a hydroxy group at position 5, and a 2-methylbut-3-en-2-yl group at positions 7 and 10. It has the role of plant metabolite .   It is also related to or classified as phenols  . It is also related to or classified as coumarins , organic heterotricyclic compound .
The molecule CCCCCCC(C\C=C\CCCCCCCC([O-])=O)OP([O-])([O-])=O CCCCCCC(C\C=C\CCCCCCCC([O-])=O)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 12-phosphonooxy-(9E)-octadecenoic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule CCCCCCC(C\C=C/CCCCCCCC(O)=O)OP(O)(O)=O CCCCCCC(C\C=C/CCCCCCCC(O)=O)OP(O)(O)=O is A carboxyalkyl phosphate that is (9Z)-octadecenoic (oleic) acid carrying a phosphonooxy substituent at position 12. Its functional parent is oleic acid . It is a conjugate acid of (9Z)-12-(phosphonooxy)octadecenoate(3-) . It is also related to or classified as carboxyalkyl phosphate .
The molecule CCCCCCCC[C@@H](O)[C@H](CCCCCCCC(O)=O)OP(O)(O)=O CCCCCCCC[C@@H](O)[C@H](CCCCCCCC(O)=O)OP(O)(O)=O is A carboxyalkyl phosphate that is octadecanoic acid carrying phosphonooxy and hydroxy substituents at positions 9 and 10 respectively. Its functional parent is octadecanoic acid . It is a conjugate acid of (9S,10R)-10-hydroxy-9-(phosphonatooxy)octadecanoate . It is also related to or classified as hydroxy monocarboxylic acid , carboxyalkyl phosphate .
The molecule CCCCCCC(CCCCCCCCCCC([O-])=O)OP([O-])([O-])=O CCCCCCC(CCCCCCCCCCC([O-])=O)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 12-(phosphonooxy)octadecanoic acid; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H]1O is an anthocyanin cation that is cyanidin attached to a 2''-O-galloyl-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is cyanidin cation . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as anthocyanin cation  . It is also related to or classified as gallate ester , monosaccharide derivative .
The molecule CCN=C=O CCN=C=O is an isocyanate having an ethyl group attached to the nitrogen. It is also related to or classified as isocyanates .
The molecule C\C=C(\C)C(=O)Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 C\C=C(\C)C(=O)Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 is an enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid. It has the role of plant metabolite . Its functional parent is luteolin 7-O-beta-D-glucoside . Its functional parent is angelic acid . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as enoate ester  . It is also related to or classified as dihydroxyflavone , monosaccharide derivative .
The molecule CCCCCCCC[C@@H](O)[C@H](CCCCCCCC([O-])=O)OP([O-])([O-])=O CCCCCCCC[C@@H](O)[C@H](CCCCCCCC([O-])=O)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9S,10R)-10-hydroxy-9-(phosphonatooxy)octadecanoic acid; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion , organophosphate oxoanion .
The molecule CCCCCCC(O)C\C=C/CCCCCCCC([O-])=O CCCCCCC(O)C\C=C/CCCCCCCC([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (9Z)-12-hydroxyoctadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy monounsaturated fatty acid anion .
The molecule CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC([O-])=O CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (9S,10R)-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion .
The molecule CCCCCCC(O)C\C=C\CCCCCCCC([O-])=O CCCCCCC(O)C\C=C\CCCCCCCC([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (9E)-12-hydroxyoctadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy monounsaturated fatty acid anion .