anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C(=C3C2)C=4C=5C(C(O)=C6C4C[C@H](C)OC6)=C(OC)C=C(C5)OC7OC(C(OC)C(C7O)O)CO)OC)CO[C@H]1C)C O=C(O[C@H]1C=2C(=C(O)C3=C(OC)C=C(C(=C3C2)C=4C=5C(C(O)=C6C4C[C@H](C)OC6)=C(OC)C=C(C5)OC7OC(C(OC)C(C7O)O)CO)OC)CO[C@H]1C)C is [(3S,4S)-6-[(3S)-7-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-10-hydroxy-9-methoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule CCCCC[C@@H]1O\C1=C/C=C\CCCCCCCC(O)=O CCCCC[C@@H]1O\C1=C/C=C\CCCCCCCC(O)=O is the (9Z)-isomer of (13S)-12,13-epoxyoctadeca-9,11-dienoic acid. It is a conjugate acid of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoate . It is also related to or classified as (13S)-12,13-epoxyoctadeca-9,11-dienoic acid  .
The molecule C1[C@@H]2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] is a 5,10-methylenetetrahydrofolate(2-). It has a role as a human metabolite and a cofactor. It is a conjugate base of a (6R)-5,10-methylenetetrahydrofolic acid.
The molecule CC(C)[C@H](C(O)=O)C(=O)C(O)=O CC(C)[C@H](C(O)=O)C(=O)C(O)=O is an oxo dicarboxylic acid that is 2-ketosuccinic acid (oxalacetic acid) in which the 3-pro-S hydrogen is substituted by an isopropyl group. Its functional parent is succinic acid . It is a conjugate acid of (2S)-2-isopropyl-3-oxosuccinate(2-) . It is also related to or classified as dicarboxylic fatty acid , oxo dicarboxylic acid .
The molecule CC(=O)NP(=O)(OC)SC is a phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group. It has a role as an acaricide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is a mixed diacylamine, a phosphoramide, an organic thiophosphate and an organothiophosphate insecticide. It derives from a member of methamidophos.
The molecule S1C=2C(=O)C3=C(C=CC=C3)C(C2C4=C1C(=O)C5=C(C=CC=C5)C4=O)=O S1C=2C(=O)C3=C(C=CC=C3)C(C2C4=C1C(=O)C5=C(C=CC=C5)C4=O)=O is Seriniquinone. It is also related to or classified as organic heterotricyclic compound , organosulfur heterocyclic compound .
The molecule C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(O[C@@H](C(OCCOCC)=O)C)C=C2 C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(O[C@@H](C(OCCOCC)=O)C)C=C2 is A 2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has R configuration. It has the role of proherbicide . It is also related to or classified as 2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate  .
The molecule COC1=CC=C(C=C1)C[C@@H]2CCN3C=C(COC[C@@H](NC2=O)CC4=CC=CC=C4)N=N3 COC1=CC=C(C=C1)C[C@@H]2CCN3C=C(COC[C@@H](NC2=O)CC4=CC=CC=C4)N=N3 is (4R,7S)-4-[(4-methoxyphenyl)methyl]-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCC(=C)\C=C/CC(C)C CCC(=C)\C=C/CC(C)C is an acyclic monoterpene resulting from fission of the C-4-C-5 bond in alpha-terpinene. It is also related to or classified as monoterpene  .
The molecule O=C1OC(C2=C(C3=CC=CC=C3)C=C(O)C4=C2C[C@H](O)CC4=O)=CC(=C1)O O=C1OC(C2=C(C3=CC=CC=C3)C=C(O)C4=C2C[C@H](O)CC4=O)=CC(=C1)O is Wailupemycin F. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl is a trichlorobiphenyl that is biphenyl in which the hydrogens at positions 2, 3, and 4 on one of the benzene rings are replaced by chlorines. It is a trichlorobiphenyl and a trichlorobenzene.
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@H]4[C@H]1[C@H]5O[C@@H]4C=6C5=C(C(OC(=O)C)=C(OC(=O)C)C6OC(=O)C)C)=O)OC(=O)C)C)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(CC[C@H](C([C@H]4[C@H]1[C@H]5O[C@@H]4C=6C5=C(C(OC(=O)C)=C(OC(=O)C)C6OC(=O)C)C)=O)OC(=O)C)C)C)CC(C)C is Spicarin B. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#29-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C)O)CO)O)O)NC(=O)C)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O)O)O is an amino oligosaccharide that is a tridecasaccharide derivative in which two pentasaccharide branches, each formed from N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannose, are linked (1->3) and (1->6) to the mannose residue of a trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked beta(1->4) with a beta-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end. It has a role as an epitope. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule O=C(CCC/C=C\C/C=C\C\C=C/C=C/C(CCCCC)OO)O[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC O=C(CCC/C=C\C/C=C\C\C=C/C=C/C(CCCCC)OO)O[C@@H](COP(OCC[N+](C)(C)C)(=O)[O-])COC(=O)CCCCCCCCCCCCCCCCC is 1-stearoyl-2-(15-hydroperoxyarachidonoyl)-sn-glycero-3-phosphocholine zwitterion. Its functional parent is 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule CCCCC(=O)CC1=CC=CC=C1 is a ketone that is hexylbenzene carrying an oxo group at position 2. It is a ketone and a member of benzenes.
The molecule c1ccc(cc1)-c1cc(nc(c1)-c1ccccn1)-c1cccnc1 c1ccc(cc1)-c1cc(nc(c1)-c1ccccn1)-c1cccnc1 is 2,2':6',3''-Terpyridine carrying a phenyl substituent at the 4-position of the central pyridine ring. It is also related to or classified as terpyridines .
The molecule O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=CC=CC3)C4=CC(O)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(O)C6O)C O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=CC=CC3)C4=CC(O)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(O)C6O)C is 3,3',4'-Trihydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC(=CC=C1O)[C@@H]([C@H]([C@@H]2NC([C@H]3N(C([C@H]([C@@H](C)O)NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)C[C@H]([C@H](NC([C@H]4N(C([C@@H](NC2=O)[C@@H](CC(=O)N)O)=O)C[C@@H]([C@@H]4O)C)=O)O)O)=O)=O)C[C@@H](C3)O)=O)O)O C1=CC(=CC=C1O)[C@@H]([C@H]([C@@H]2NC([C@H]3N(C([C@H]([C@@H](C)O)NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)C[C@H]([C@H](NC([C@H]4N(C([C@@H](NC2=O)[C@@H](CC(=O)N)O)=O)C[C@@H]([C@@H]4O)C)=O)O)O)=O)=O)C[C@@H](C3)O)=O)O)O is A lipopeptide that is isolated from Aspergillus aculeatus and exhibits antifungal activity. It has the role of antimicrobial agent . It has the role of antifungal agent . It has the role of Aspergillus metabolite . It is also related to or classified as heterodetic cyclic peptide , lipopeptide .
The molecule C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(OC(C(OCCOCC)=O)C)C=C2 C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(OC(C(OCCOCC)=O)C)C=C2 is A carboxylic ester that is the resulting from the formal condensation of the carboxy group of 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of 2-ethoxyethanol. Its functional parent is 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid . Its functional parent is 2-ethoxyethanol .  It is also related to or classified as carboxylic ester  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyridines , aromatic ether .
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C)CC3CCCCC3 is N-[(4R,7S,8S)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C is an O-acylcarnitine compound having decanoyl as the acyl substituent. It has a role as a human urinary metabolite. It is an O-acylcarnitine and a decanoate ester.
The molecule O=C1O[C@H](C)[C@H]([C@@H]1C)CO[C@H]2O[C@H](C)[C@H]([C@@H]2C)COC(=O)C[C@@H]3[C@H](C(=O)CC3)C/C=C\CC O=C1O[C@H](C)[C@H]([C@@H]1C)CO[C@H]2O[C@H](C)[C@H]([C@@H]2C)COC(=O)C[C@@H]3[C@H](C(=O)CC3)C/C=C\CC is Lasiojasmonate C. Its functional parent is jasmonic acid . It is also related to or classified as lipid  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC=C1)O)O)/C)/C)/C)/C)/C)/C)/C)C is a 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-octaprenyl moiety. It has a role as an Escherichia coli metabolite.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#29. Its functional parent is oscr#29 . It is a conjugate acid of oscr#29-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule CCCCC(CC)COC(=O)c1ccccc1C(O)=O CCCCC(CC)COC(=O)c1ccccc1C(O)=O is the mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. Its functional parent is 2-ethylhexan-1-ol . It is a conjugate acid of mono(2-ethylhexyl) phthalate(1-) . It is also related to or classified as phthalic acid monoester .
The molecule CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 is an organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease. It has a role as a H1-receptor antagonist, an anti-allergic agent, a muscarinic antagonist and an antiparkinson drug. It is a member of pyridines, a tertiary amino compound and a member of monochlorobenzenes.
The molecule COCC(=O)NC[C@H]1[C@H]([C@@H](N1C(=O)C2CC2)CO)C3=CC=C(C=C3)C4=CCCC4 COCC(=O)NC[C@H]1[C@H]([C@@H](N1C(=O)C2CC2)CO)C3=CC=C(C=C3)C4=CCCC4 is N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(=CCC1=C2C(=C(C(=C1OC)O)OC)OC3=CC=CC(=C3C2=O)O)C is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3 and 8, methoxy groups at position 2 and 4 and a prenyl group at position 1. A methyl ether derivative of celebixanthone, it is isolated from the roots of Cratoxylum cochinchinense and exhibits antimalarial activities. It has a role as a metabolite and an antimalarial. It is an aromatic ether, a polyphenol and a member of xanthones. It derives from a celebixanthone.
The molecule CCCCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCC(O)=O CCCCC\C=C/C\C=C/C=C/[C@@H](O)C\C=C/CCCC(O)=O is A HETE having an (8S)-hydroxy group and (5Z)-, (9E)-, (11Z)- and (14Z)-double bonds. Its functional parent is icosa-5,9,11,14-tetraenoic acid . It is a conjugate acid of 8(S)-HETE(1-) . It is also related to or classified as HETE .
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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[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[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC 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]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[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[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC is A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It has the role of bacterial metabolite . 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 leucomycin , macrolide antibiotic , disaccharide derivative , monosaccharide derivative .
The molecule C([O-])([C@@H]([NH3+])CSC(C([O-])=O)CC([O-])=O)=O C([O-])([C@@H]([NH3+])CSC(C([O-])=O)CC([O-])=O)=O is major species at pH 7.3. It is also related to or classified as organic molecular entity .
The molecule C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(O[C@H](C(OC)=O)C)C=C2 C=1(N=CC(=CC1Cl)C(F)(F)F)OC2=CC=C(O[C@H](C(OC)=O)C)C=C2 is A methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate that has S configuration. It is the (much less active) enantiomer of the proherbicide haloxyfop-P-methyl. Its functional parent is (S)-haloxyfop . It is also related to or classified as methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate  .
The molecule C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C=C\\C/C=C\\CC1C(O1)/C=C/C=C/C=C\\CCCCCC(=O)[O-] is a docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion and a long-chain fatty acid anion. It is a conjugate base of a (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(N=C(N)N)N O=C(N=C(N)N)N is Guanylurea. Its functional parent is carbonic acid . It is also related to or classified as organooxygen compound .
The molecule O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@@H](NC(=O)C)NC1 O=C(O)[C@@H]1[C@H](O)[C@H](O)[C@@H](NC(=O)C)NC1 is Siastatin B.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C([O-])=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCC/C=C/C([O-])=O is A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#29, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule COC(C(=O)C(=O)C1=CC=CC=C1)OC is an alpha-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3. It has a role as a metabolite. It is an alpha-diketone, an aromatic ketone and an ether.
The molecule C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)C1=C(C(O)=CC(=C1O)C1=C(O)C3=C(C(O)=C1)C(=O)C1=C([C@@H](C)O[C@H](CC(O)=O)C1)C3=O)C2=O C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)C1=C(C(O)=CC(=C1O)C1=C(O)C3=C(C(O)=C1)C(=O)C1=C([C@@H](C)O[C@H](CC(O)=O)C1)C3=O)C2=O is A member of the class of benzoisochromanequinone that is produced by Streptomyces coelicolor A3(2) and exhibits antibiotic activity. It has the role of antimicrobial agent . It has the role of bacterial metabolite . It is a conjugate acid of actinorhodin(3-) .     It is also related to or classified as benzoisochromanequinone  . It is also related to or classified as polyketide  . It is also related to or classified as p-quinones , polyphenol , dicarboxylic acid , ring assembly .
The molecule O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O is an anthocyanin cation that is cyanidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. Its functional parent is cyanidin cation . Its functional parent is trans-4-coumaric acid . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as anthocyanin cation  . It is also related to or classified as polyphenol , cinnamate ester , monosaccharide derivative .
The molecule CCC\C=C/[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O CCC\C=C/[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O is the conjugate base of (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienic acid. Its functional parent is (9Z,11E,14Z)-octadeca-9,11,14-trienoate . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C is a bile acid anion that is the conjugate base of isolithocholic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of lithocholate. It is the major microspecies at pH 7.3. It is a bile acid anion and a cholanic acid anion. It is a conjugate base of an isolithocholic acid.
The molecule OC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc([O-])cc3[o+]c(-c4ccc(O)cc4)c(O[C@@H]4O[C@H](COC(=O)\C=C\c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O is conjugate base of pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside. It is also related to or classified as oxonium betaine .
The molecule NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A dipeptide composed of glycine and L-histidine joined by a peptide linkage. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-histidine . It is also related to or classified as dipeptide  .
The molecule C/C=C(\\C)/C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1CCC[C@]23CO3)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4 is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is an acetate ester, a butenolide, a diterpene lactone, an enoate ester and a spiro-epoxide.
The molecule [H][C@](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O [H][C@](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O is A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction. It has the role of diagnostic agent . It has the role of gastrointestinal drug . It is also related to or classified as oligopeptide  .
The molecule O=C1N2C(CC(C2)O)C(C1=C(O)C(CC(CCCCCCCC=CCC(O)CCCC(O)CCCCCCCO)C)C)=O O=C1N2C(CC(C2)O)C(C1=C(O)C(CC(CCCCCCCC=CCC(O)CCCC(O)CCCCCCCO)C)C)=O is Burnettramic acid A aglycone. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , cyclic ketone .
The molecule CC1=CN=C(N1)C(=O)O is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively. It has a role as a metabolite.
The molecule [Na+].O1C(CC(C1C(CC)C(=O)C(C(O)C(CCC2=C(C(O)=C(C=C2)C)C([O-])=O)C)C)C)(C3OC(C(O)(CC3)CC)C)CC [Na+].O1C(CC(C1C(CC)C(=O)C(C(O)C(CCC2=C(C(O)=C(C=C2)C)C([O-])=O)C)C)C)(C3OC(C(O)(CC3)CC)C)CC is 6-{7-[(3R,5R)-5-((6S,5R)-5-Ethyl-5-hydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2-yl))-5-ethyl-3-methyloxolan-2-yl](3S,7S,4R,5R)-4-hydroxy-3,5-dimethyl-6-oxo nonyl}-2-hydroxy-3-methylbenzoic acid, sodium salt. It is also related to or classified as diterpene glycoside .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#28-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CCCCCC/C=C\\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylethanolamine 37:5 zwitterion in which the acyl groups at positions 1 and 2 are specified as 10Z-heptadecenoyl and arachidonoyl respectively. It is a phosphatidylethanolamine 37:5 zwitterion and a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule O[C@@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O[C@@H]1[C@H](OC(O)[C@H](NC(=O)C)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is an amino disaccharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy group at position 6 has been converted into the corresponding beta-D-glucopyranoside. Its functional parent is N-acetyl-D-glucosamine .   It is also related to or classified as beta-D-glucoside  . It is also related to or classified as acetamides , amino disaccharide .
The molecule CC(=O)O is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. It is a conjugate acid of an acetate.