anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [O-]C(CCCCCC1C(/C=C/C=C/C=C\C=C\C(C/C=C\CC)O)O1)=O [O-]C(CCCCCC1C(/C=C/C=C/C=C\C=C\C(C/C=C\CC)O)O1)=O is A docosanoid anion that is the conjugate base of 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic 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 docosanoid anion , hydroxy fatty acid anion .
The molecule O=C1C=2C3=C(C(O)=CC(=C3[C@H](C)[C@H](C2C4=C(O)C=CC=C4O)[C@@H](CC(=O)C5=C(O)C=CC=C5O)C)O)C(=C1)O O=C1C=2C3=C(C(O)=CC(=C3[C@H](C)[C@H](C2C4=C(O)C=CC=C4O)[C@@H](CC(=O)C5=C(O)C=CC=C5O)C)O)C(=C1)O is (+)-dalmanol C. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule S(O)(=O)(=O)C(CCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 S(O)(=O)(=O)C(CCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 is 6-Gingesulfonic acid. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)N[C@@H]([C@H]1OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@H](O[C@@H]([C@H]4O)O[C@@H]5[C@@H]([C@H](O[C@@H]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[C@H](CO)O)O[C@@H]7[C@@H](C[C@@](O[C@@H]7[C@@H](CO[C@@H]8[C@@H]([C@H]([C@H](CO8)N)O)O)O)(C(=O)O)O)O[C@@]9(C[C@H]([C@H]([C@H](O9)[C@@H](CO)O)O)O)C(=O)O)O)[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OCCN)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@@H](CO)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)O)N)O)[C@H]([C@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O is an oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strains 2, 11, 17, 19 and 107 lipopolysaccharide (LPS) core region.
The molecule O([C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@@H](O)C(O[C@@H]([C@H]1O)CO)O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is A glucotriose consisting of alpha-D-glucopyranose, D-glucopyranose and beta-D-glucopyranose residues joined in sequence by (1->3) and (1->2) glycosidic bonds. Its functional parent is nigerose . It is also related to or classified as glucotriose , partially-defined glycan .
The molecule O=C1C=C[C@@](/C=C/C(=C\C(=O)O)/C)(C)C(C1(C)C)=O O=C1C=C[C@@](/C=C/C(=C\C(=O)O)/C)(C)C(C1(C)C)=O is Botrytisic acid B. It is also related to or classified as medium-chain fatty acid  .
The molecule O=C(OC)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC O=C(OC)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC is cis-5,8,11,14,17-eicosapentaenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CCC)C/C=C\CC1C(C/C=C\C/C=C\CCCC(NCCO)=O)O1 C(CCC)C/C=C\CC1C(C/C=C\C/C=C\CCCC(NCCO)=O)O1 is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 11,12-double bond of anandamide. It has the role of human xenobiotic metabolite . Its functional parent is anandamide . Its functional parent is 11,12-EET . It is also related to or classified as N-(long-chain-acyl)ethanolamine  . It is also related to or classified as oxidized N-(fatty acyl)-ethanolamine  . It is also related to or classified as epoxide  .  It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  . It is also related to or classified as endocannabinoid .
The molecule CC[C@@H]1NC(=O)[C@H]([C@H](OS([O-])(=O)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C CC[C@@H]1NC(=O)[C@H]([C@H](OS([O-])(=O)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C is an organosulfate oxoanion that is the conjugate base of cyclosporin A hydrogen sulfate resulting from the deprotonation of the sulfooxy group. It is a metabolite of cyclosporin A found in human bile and plasma. It has the role of drug metabolite . It has the role of human xenobiotic metabolite . It is also related to or classified as organosulfate oxoanion  .
The molecule C1CCC(CC1)N=C=NCCN1CCOCC1 C1CCC(CC1)N=C=NCCN1CCOCC1 is A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents. It has the role of cross-linking reagent .  It is also related to or classified as carbodiimide  . It is also related to or classified as morpholines .
The molecule C[C@H]1[C@@]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)(CO)O is dianion of dTDP-L-dihydrostreptose arising from deprotonation of both free diphosphate OH groups. It is a conjugate base of a dTDP-L-dihydrostreptose.
The molecule [O-]C(CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O [O-]C(CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O is A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators. It is also related to or classified as (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate  .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol; major species at pH 7.3. It is a conjugate base of an alpha-D-Gal-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol.
The molecule CC(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 CC(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 short chain fatty acyl-CoA(4-) that is the tetraanion of isobutyryl-CoA, arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as short chain fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule COC1=CC(O)=C(C=C1)C(O)=O COC1=CC(O)=C(C=C1)C(O)=O is A methoxybenzoic acid that is benzoic acid substituted by hydroxy and methoxy groups at positions 2 and 4, respectively. It has the role of plant metabolite . It is a conjugate acid of 2-hydroxy-4-methoxybenzoate . It is also related to or classified as methoxybenzoic acid , monohydroxybenzoic acid .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO)O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino nonasaccharide derivative that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 6 by an alpha-L-Fuc-(1->6)-[beta-D-GalNAc-(1->4)]-beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 3 by a beta-D-GlcNAc-(1->2)-alpha-D-Man group. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino nonasaccharide .
The molecule CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC is a triglyceride formed by esterification of the three hydroxy groups of glycerol with elaidic acid. It derives from an elaidic acid.
The molecule O=C1C=2C(OC(=C1)C)=C(C3=C4O[C@](O)(CC(C4=C(O)C=5C3=CC(OC)=CC5OC)=O)C)C6=CC(OC)=CC(=C6C2O)OC O=C1C=2C(OC(=C1)C)=C(C3=C4O[C@](O)(CC(C4=C(O)C=5C3=CC(OC)=CC5OC)=O)C)C6=CC(OC)=CC(=C6C2O)OC is 2-hydroxydihydronigerone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C(OC)CCCCCCCCC/C=C/C/C=C/C/C=C/CC O=C(OC)CCCCCCCCC/C=C/C/C=C/C/C=C/CC is cis-11,14,17-eicosatrienoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CCC)C/C=C\C/C=C\CC1C(C/C=C\CCCC(NCCO)=O)O1 C(CCC)C/C=C\C/C=C\CC1C(C/C=C\CCCC(NCCO)=O)O1 is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 8,9-double bond of anandamide. It has the role of human xenobiotic metabolite . Its functional parent is anandamide . Its functional parent is 8,9-EET . It is also related to or classified as N-(long-chain-acyl)ethanolamine  . It is also related to or classified as oxidized N-(fatty acyl)-ethanolamine  . It is also related to or classified as epoxide  .  It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  . It is also related to or classified as endocannabinoid .
The molecule C(CC(C(=O)O)N)CN is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has a role as a human metabolite, a Daphnia magna metabolite, an algal metabolite and an Escherichia coli metabolite. It is a conjugate base of an ornithinium(1+). It is a conjugate acid of an ornithinate.
The molecule C[C@@H]1N[C@H]2CC[C@@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)N1 C[C@@H]1N[C@H]2CC[C@@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)N1 is an alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects. It has the role of cardiovascular drug . It has the role of plant metabolite .  It is also related to or classified as alkaloid  . It is also related to or classified as macrodiolide .
The molecule [O-]C(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CC)=O [O-]C(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CC)=O is A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialised proresolving mediators. It is also related to or classified as (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate  .
The molecule O=c1cccc2[C@@H]3C[C@@H](Cn12)[C@H]1CCCN1C3 O=c1cccc2[C@@H]3C[C@@H](Cn12)[C@H]1CCCN1C3 is Camoensine.    It is also related to or classified as delta-lactam  . It is also related to or classified as bridged compound , organic heterotetracyclic compound , indolizines .
The molecule O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC=C(O)C=C3 O1C2=C(C(OC)=C(OC)C(OC)=C2OC)C(=O)C=C1C3=CC=C(O)C=C3 is 4'-Hydroxy-5,6,7,8-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4 CC(C)C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)S(=O)(=O)C4=CC=CC=C4 is (6R,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCC/C=C/CC(=C1C(=O)CC(CC1=O)O)O is a polyketide that consists of cyclohex-2-en-1-one substituted by hydroxy groups at positions 3 and 5 and a hexadec-3-enoyl group at position 2 (the 3E stereoisomer). It is isolated form the leaves of Virola sebifera an exhibits cytotoxic activity against human tumour cells. It has a role as a metabolite and an antineoplastic agent. It is a polyketide, an enol and an enone.
The molecule O=C(OC)CCCCCCCCC/C=C\CCCCCCCC O=C(OC)CCCCCCCCC/C=C\CCCCCCCC is cis-11-eicosenoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule C(CCC)C/C=C\C/C=C\C/C=C\CC1C(CCCC(NCCO)=O)O1 C(CCC)C/C=C\C/C=C\C/C=C\CC1C(CCCC(NCCO)=O)O1 is an N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 5,6-double bond of anandamide. It has the role of human xenobiotic metabolite . Its functional parent is anandamide . Its functional parent is 5,6-EET . It is also related to or classified as N-(long-chain-acyl)ethanolamine  . It is also related to or classified as oxidized N-(fatty acyl)-ethanolamine  . It is also related to or classified as epoxide  .  It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  . It is also related to or classified as endocannabinoid .
The molecule CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F is 6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino trisaccharide that is beta-D-mannopyranose in which the hydroxy groups at positions 2 and 4 have each been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl derivative. It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)OC(F)F is a pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4. It has a role as an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, a peripheral nervous system drug, an anti-asthmatic drug and a bronchodilator agent. It is an organofluorine compound and a pyridazinone.
The molecule C=1(C(=CC=C(C1)O)O)C/C=C(/CC/C=C(\C)/CO)\C C=1(C(=CC=C(C1)O)O)C/C=C(/CC/C=C(\C)/CO)\C is isoalliodorol. Its functional parent is geranylhydroquinone .  It is also related to or classified as terpenoid  . It is also related to or classified as polyprenylhydroquinone .
The molecule [O-]C(CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O [O-]C(CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O is A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration. It is also related to or classified as (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate  .
The molecule CC(O)COP([O-])([O-])=O CC(O)COP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-hydroxypropyl dihydrogen phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O=C(O)/C=C/C=C/[C@@H]1O[C@H]([C@@](O)(C)[C@@H]2[C@@]([C@H]1O)(O)[C@@H]3[C@H](CC(C)=CC3)C=C2C)[C@H](CC)C O=C(O)/C=C/C=C/[C@@H]1O[C@H]([C@@](O)(C)[C@@H]2[C@@]([C@H]1O)(O)[C@@H]3[C@H](CC(C)=CC3)C=C2C)[C@H](CC)C is Pyrenulic acid F. It is also related to or classified as medium-chain fatty acid  .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is N-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-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-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1cc(CC2[NH2+]CCc3cc(OC)c(O)cc23)ccc1O COc1cc(CC2[NH2+]CCc3cc(OC)c(O)cc23)ccc1O is the conjugate acid of nororientaline; major species at pH 7.3. It is a conjugate acid of nororientaline . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CC(=O)N[C@@H](CSC(=O)C(CO)O)C(=O)O is an S-substituted N-acetyl-L-cysteine that is the thioester obtained by formal condensation of the carboxy group of glyceric acid with the thiol group of N-acetyl-L-cysteine. It is a S-substituted N-acetyl-L-cysteine and a thioester. It derives from a glyceric acid.
The molecule O=C(OC)CCCCCCCCCCCCCCCCCCC O=C(OC)CCCCCCCCCCCCCCCCCCC is methyl arachidate. It is also related to or classified as fatty acid methyl ester  .
The molecule C([C@H](CSCC=C(C)C)[NH3+])(=O)[O-] C([C@H](CSCC=C(C)C)[NH3+])(=O)[O-] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-prenyl-L-cysteine; major species at pH 7.3.  It is also related to or classified as L-alpha-amino acid zwitterion  . It is also related to or classified as S-polyprenyl-L-cysteine zwitterion .
The molecule C1=CC(=CC=C1C(=O)NNC(=O)C2=NC=CN=C2)Cl C1=CC(=CC=C1C(=O)NNC(=O)C2=NC=CN=C2)Cl is N'-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule COc1c(O)ccc(C=CC)c1C COc1c(O)ccc(C=CC)c1C is an isoeugenol derivative carrying a 3-methyl substituent. Its functional parent is isoeugenol . It is also related to or classified as phenylpropanoid .
The molecule CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(S2)[N+](=O)[O-] CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(S2)[N+](=O)[O-] is 5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester. It is also related to or classified as thiophenes , C-nitro compound .
The molecule C1COCCN1CCS(=O)(=O)O is a Good's buffer substance, pKa = 6.15 at 20 ℃. It is an organosulfonic acid and a MES. It is a conjugate acid of a 2-(N-morpholino)ethanesulfonate. It is a tautomer of a 2-(N-morpholiniumyl)ethanesulfonate.
The molecule C(CCC([O-])=O)/C=C\C[C@@H]1/C(/C(C=C1)=O)=C\C[C@H](C/C=C\CC)O C(CCC([O-])=O)/C=C\C[C@@H]1/C(/C(C=C1)=O)=C\C[C@H](C/C=C\CC)O is A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule Cl.CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2 Cl.CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2 is the hydrochloride salt of zavegepant. It is a calcitonin gene-related peptide receptor antagonist administered as a nasal spray for the acute treatment of migraine with or without aura in adults. It has the role of calcitonin gene-related peptide receptor antagonist . It is also related to or classified as hydrochloride .
The molecule O1C2=C(C(=O)C=C1C=3C=C(OC)C(OC)=C(O)C3)C=CC(OC)=C2OC O1C2=C(C(=O)C=C1C=3C=C(OC)C(OC)=C(O)C3)C=CC(OC)=C2OC is 3'-Hydroxy-4',5',7,8-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
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)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O is a branched trisaccharide that is alpha-D-galactopyranose in which the hydroxy groups at positions 2 and 3 have been converted to the corresponding alpha-L-fucopyranosyl and alpha-D-galactopyranosyl derivatives, respectively. It derives from an alpha-(1->3)-galactobiose and an alpha-L-fucose.
The molecule COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C(N=[N+]3C4=CC=CC=C4)C5=CC=CC=C5)OC)N6N=C(N=[N+]6C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-] is an organic chloride salt having tetrazolium blue(1+) as the counterion. It has a role as a dye. It contains a tetrazolium blue(2+).
The molecule O=C(OC)CCCCCCC/C=C/C/C=C/CCCCC O=C(OC)CCCCCCC/C=C/C/C=C/CCCCC is methyl linolelaidate. It is also related to or classified as fatty acid methyl ester  .
The molecule [C@@H]1(OS([O-])(=O)=O)[C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)[H])[H])[H])C [C@@H]1(OS([O-])(=O)=O)[C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)[H])[H])[H])C is A steroid sulfate oxoanion that is the conjugate base of (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is also related to or classified as steroid sulfate oxoanion .
The molecule C(CC/C=C\\CC(/C=C/C=C\\C/C=C\\CCCC(=O)[O-])O)CCO is an icosanoid anion that is the conjugate base of 12,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, an icosanoid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a dihydroxyicosatetraenoate. It derives from a 12-HETE(1-). It is a conjugate base of a 12,20-DiHETE.
The molecule C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC([O-])=O)c5CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)[C@@H](CCC([O-])=O)[C@]3(C)CC([O-])=O C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC([O-])=O)c5CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)[C@@H](CCC([O-])=O)[C@]3(C)CC([O-])=O is an octuply-charged cyclic tetrapyrrole anion arising from global deprotonation of the carboxy groups of sirohydrochlorin; major species at pH 7.3. It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule [C@@H](C(C(O)=O)=O)([C@@H](CO)O)O [C@@H](C(C(O)=O)=O)([C@@H](CO)O)O is D-xylulosonic acid. It is a conjugate acid of 2-dehydro-D-xylonate . It is also related to or classified as oxo carboxylic acid .
The molecule CNc1ccccc1C([O-])=O CNc1ccccc1C([O-])=O is an aromatic amino-acid anion resulting from the removal of a proton from the carboxylic acid group of N-methylanthranilic acid. Its functional parent is anthranilate . It is also related to or classified as aminobenzoate , aromatic amino-acid anion .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism. It has a role as a mouse metabolite. It is an unsaturated fatty acyl-CoA and a long-chain fatty acyl-CoA. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-).
The molecule O=C(OCC)C1=C(N)CCCC1 O=C(OCC)C1=C(N)CCCC1 is Ethyl-2-amino-1-cyclohexene-1-carboxylate. It is also related to or classified as enamine  . It is also related to or classified as enone  .
The molecule O1C2=C(C(OC)=C(OC)C(O)=C2)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 O1C2=C(C(OC)=C(OC)C(O)=C2)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 is 7-Hydroxy-3',4',5,6-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC(=O)C1=C2N=C3C=CC=C(O)C3=NC2=CC=C1 OC(=O)C1=C2N=C3C=CC=C(O)C3=NC2=CC=C1 is A member of the class of phenazines that is phenazine substituted by a carboxy group at positions 1 and a hydroxy group at position 6. A natural product found in Streptomyces sp. IFM 11204. It has the role of bacterial metabolite . It is a conjugate acid of 6-hydroxyphenazine-1-carboxylate . It is also related to or classified as aromatic carboxylic acid , hydroxy monocarboxylic acid , phenazines .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine 40:5 in which the acyl groups at C-1 and C-2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. It derives from an octadecanoic acid and a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid.