anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O is A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3. It has the role of human metabolite .  It is also related to or classified as N-acylglycinate  . It is also related to or classified as sulfoglycolithocholate anion , steroid sulfate oxoanion .
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[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)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[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C7(C)C)[H])[H])C is mogroside VI. It has the role of plant metabolite .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as mogroside .
The molecule C1=CC(=CC=2C(=CNC12)CCNC(CCC)=O)O C1=CC(=CC=2C(=CNC12)CCNC(CCC)=O)O is an N-acylserotonin obtained by formal condensation of the carboxy group of butyric acid with the primary amino group of serotonin. Its functional parent is butyric acid . It is also related to or classified as N-acylserotonin  .
The molecule CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C is A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein. It has the role of antioxidant . It has the role of anticoagulant . It has the role of animal metabolite . It has the role of plant metabolite . It has the role of food colouring . It is also related to or classified as carotenol , carotenone .
The molecule NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O NC(=[NH2+])N[C@H]1[C@H](O)[C@@H](O)[C@H](O)C(=O)[C@@H]1O is A guanidinium ion that is the conjugate acid of 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol; major species at pH 7.3. It is a conjugate acid of 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol . It is also related to or classified as guanidinium ion  .
The molecule N=1C=C(C(=C(C1C)O)/C=N/CCCC[C@H](N)C(=O)O)COP(O)(=O)O N=1C=C(C(=C(C1C)O)/C=N/CCCC[C@H](N)C(=O)O)COP(O)(=O)O is an L-lysine derivative that is the aldimine obtained via formal condensation of the side-chain amino group of L-lysine with the carbonyl group of pyridoxal phosphate. Its functional parent is pyridoxal .    It is also related to or classified as aldimine  . It is also related to or classified as L-lysine derivative , methylpyridines , organic phosphate , monohydroxypyridine .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O)C([O-])=O is an organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3. It is a conjugate acid of trypanothione . It is also related to or classified as organic cation .
The molecule [H][Sb]([H])[H] [H][Sb]([H])[H] is stibane. It is also related to or classified as antimony hydride , mononuclear parent hydride .
The molecule O1C(OC=2C(C(O)C(=O)C3=CC=CC=C3)=CC=CC2)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C(C(O)C(=O)C3=CC=CC=C3)=CC=CC2)C(O)C(O)C(O)C1C(O)=O is 3,4,5-trihydroxy-6-[2-(1-hydroxy-2-oxo-2-phenylethyl)phenoxy]oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC1CCCCC1 CCCCC\C=C/C\C=C/CCCCCCCC(=O)NC1CCCCC1 is the amide obtained by formal condensation of linoleic acid with cyclohexylamine. It is also related to or classified as fatty amide .
The molecule c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1 c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1 is an arsonium ion consisting of four phenyl groups attached to a central arsonium. It is also related to or classified as arsonium ion .
The molecule N1C=C(CCNC(CCCCCCCCCCCCCCCCC)=O)C2=C1C=CC(O)=C2 N1C=C(CCNC(CCCCCCCCCCCCCCCCC)=O)C2=C1C=CC(O)=C2 is an N-acylserotonin obtained by formal condensation of the carboxy group of stearic acid with the primary amino group of serotonin. It has been found in the jejunum and ileum of pigs and mice. Its functional parent is octadecanoic acid . It is also related to or classified as N-acylserotonin  .
The molecule CN(C)CCc1c[nH]c2ccc(O)cc12 CN(C)CCc1c[nH]c2ccc(O)cc12 is A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5. It has the role of hallucinogen . It has the role of coral metabolite . Its functional parent is N,N-dimethyltryptamine . It is also related to or classified as tertiary amine  . It is also related to or classified as tryptamine alkaloid .
The molecule CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1 CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1 is A naphthalene substituted by a 1-chloro-2-(propan-2-ylamino)ethyl group at position 2.  It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes , secondary amino compound .
The molecule N1C=C(CCNC(CCCCCCC/C=C\CCCCCCCC)=O)C2=C1C=CC(O)=C2 N1C=C(CCNC(CCCCCCC/C=C\CCCCCCCC)=O)C2=C1C=CC(O)=C2 is an N-acylserotonin obtained by formal condensation of the carboxy group of oleoic acid with the primary amino group of serotonin. Its functional parent is oleic acid . It is also related to or classified as N-acylserotonin  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1OP(O)(O)=O is ADP-D-ribose 2'-phosphate. It has the role of mouse metabolite . Its functional parent is D-ribofuranosyl-ADP . It is a conjugate acid of ADP-D-ribose 2'-phosphate(4-) . It is also related to or classified as ADP-aldose  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC=C(C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4)C(=O)C3C=C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC=C(C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4)C(=O)C3C=C2)CO is Daidzin 4'-O-glucuronide. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 is A flavonoid oxoanion that is the conjugate base of (S)-naringenin, arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule Cn1c2occc2c(=O)c2ccccc12 Cn1c2occc2c(=O)c2ccccc12 is Isodictamnine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(C)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(C)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO is the N-acetyl-D-galactosaminyl group arising from deprotonation of the two carboxy groups of the beta-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,3-(beta-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl group; major species at pH 7.3. It is also related to or classified as N-acetyl-D-galactosaminyl group .
The molecule C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br is A bromoalkane consisting of cyclododecane bearing six bromo substituents at positions 1, 2, 5, 6, 9 and 10. It has the role of xenobiotic . It has the role of neurotoxin . It has the role of persistent organic pollutant . It is also related to or classified as brominated flame retardant , bromohydrocarbon , bromoalkane .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O is ADP-alpha-D-mannose. It has the role of human metabolite . It is also related to or classified as ADP-aldose  .
The molecule CCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O CCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O is (-)-9,10-dihydrojasmonic acid. It is also related to or classified as dihydrojasmonic acid , oxo carboxylic acid .
The molecule Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1O Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)cc1O is A pentahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2', 4' and 5'. It has the role of plant metabolite . It is also related to or classified as pentahydroxyflavone .
The molecule O=[Mo+4]12SC1(O2)N(CCCC)[Cu+] O=[Mo+4]12SC1(O2)N(CCCC)[Cu+] is A metal-sulfur-oxygen cluster with formula C5H9CuMoNO2S. Bound ligand. It is also related to or classified as organic cation , molybdenum coordination entity , copper coordination entity , metal-sulfur-oxygen cluster .
The molecule [H][Sb]([H])([H])([H])[H] [H][Sb]([H])([H])([H])[H] is stiborane. It is also related to or classified as antimony hydride , mononuclear parent hydride .
The molecule CCCCCCCCC#CCCCCCCCC(O)=O CCCCCCCCC#CCCCCCCCC(O)=O is an octadecynoic acid having its triple bond at position 9. It is also related to or classified as octadecynoic acid .
The molecule S(c1ccccc1)c1ccccc1 S(c1ccccc1)c1ccccc1 is an  aryl sulfide that consists of two phenyl groups connected by a sulphur atom. It is also related to or classified as aryl sulfide .
The molecule CC(=O)SCC[NH3+] CC(=O)SCC[NH3+] is the organic cation that is the conjugate acid of S-acetylcysteamine; major species at pH 7.3. It is a conjugate acid of S-acetylcysteamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule OS(=O)(=O)Oc1cc2ccccc2c2ccccc12 OS(=O)(=O)Oc1cc2ccccc2c2ccccc12 is 9-phenanthryl hydrogen sulfate. It is a conjugate acid of 9-phenanthryl sulfate . It is also related to or classified as phenanthryl hydrogen sulfate .
The molecule O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=CC(O)=C(O)C2 O1C=2C(C(=O)C(OC)=C1C3=CC=C(O)C=C3)=CC(O)=C(O)C2 is 6,7,4'-Trihydroxy-3-methoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=C=NCCc1ccccc1 O=C=NCCc1ccccc1 is an isocyanate having a 2-phenylethyl group attached to the nitrogen. It has the role of hapten . It is also related to or classified as isocyanates .
The molecule CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C is A fumonisin with formula C34H59NO14, originally isolated from Aspergillus niger and also found in unprocessed coffee beans. It has the role of Aspergillus metabolite .  It is also related to or classified as fumonisin  . It is also related to or classified as triol , primary amino compound .
The molecule Oc1cc2ccccc2c2ccccc12 Oc1cc2ccccc2c2ccccc12 is A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group. It has the role of TRPM4 channel inhibitor . It is also related to or classified as phenanthrol .
The molecule Cc1ncsc1CCOP([O-])([O-])=O Cc1ncsc1CCOP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-] C1=CC(=CC=C1NC=2C=CC(N=C=S)=CC2)[N+](=O)[O-] is an isothiocyanate that is phenyl isothiocyanate in which the hydrogen at the para- position has been replaced by a 4-nitroanilinyl group. It has the role of schistosomicide drug . Its functional parent is diphenylamine .   It is also related to or classified as isothiocyanate  . It is also related to or classified as C-nitro compound , secondary amino compound .
The molecule N[C@@H](C[SeH])C([O-])=O N[C@@H](C[SeH])C([O-])=O is L-selenocysteinate(1-). It is a conjugate acid of L-selenocysteinate(2-) . It is also related to or classified as selenocysteinate(1-)  .
The molecule C(C(NCCC=1C=2C(NC1)=CC=C(C2)O)=O)CCCCCCCCCCCCCC C(C(NCCC=1C=2C(NC1)=CC=C(C2)O)=O)CCCCCCCCCCCCCC is an N-acylserotonin obtained by formal condensation of the carboxy group of hexadecanoic acid with the primary amino group of serotonin. Its functional parent is hexadecanoic acid . It is also related to or classified as N-acylserotonin  .
The molecule CC(/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C CC(/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C is the 9-cis-stereoisomer of violaxanthin.  It is also related to or classified as 9-cis-epoxycarotenoid  . It is also related to or classified as violaxanthin .
The molecule CCCCCCCCCCCCCCCC(=O)C(N)CO CCCCCCCCCCCCCCCC(=O)C(N)CO is 2-amino-1-hydroxyoctadecan-3-one. It is also related to or classified as ketone  . It is also related to or classified as sphingoid  .
The molecule COc1cc(ccc1N=C=O)[N+]([O-])=O COc1cc(ccc1N=C=O)[N+]([O-])=O is an isocyanate having a 2-methoxy-4-nitrophenyl group attached to the nitrogen. It has the role of hapten . It is also related to or classified as 3-nitroanisoles  . It is also related to or classified as isocyanates .
The molecule C(C(NCCC=1C=CC(=C(C1)O)O)=O)CCCCCCCCCCCCCC C(C(NCCC=1C=CC(=C(C1)O)O)=O)CCCCCCCCCCCCCC is A fatty amide resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of dopamine. It is present as an endogenous compound in the mammalian brain. Its functional parent is hexadecanoic acid . Its functional parent is dopamine . It is also related to or classified as N-(fatty acyl)-dopamine  . It is also related to or classified as catechols  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as fatty amide .
The molecule COc1c2occc2c([O-])c2ccc(=O)oc12 COc1c2occc2c([O-])c2ccc(=O)oc12 is A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O is A steroid sulfate oxoanion arising from deprotonation of both sulfo groups of taurolithocholic acid sulfate; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as steroid sulfate oxoanion .
The molecule O1C([C@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO O1C([C@H](O)C(O)C(O)[C@H]1OC2=C(OC)C=C(C=C2)C=3OC=4C(C(=O)C3OC)=C(O)C(OC)=C(OC)C4)CO is Galactobuxin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCOC(=O)c1ccccc1C(=O)OCCC CCCOC(=O)c1ccccc1C(=O)OCCC is A phthalate ester that is the dipropyl ester of benzene-1,2-dicarboxylic acid.  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule C(C([O-])=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO C(C([O-])=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO is A docosanoid anion that is the conjugate base of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate . It is also related to or classified as hydroperoxydocosahexaenoate .
The molecule CCCCCCCCC(O)C(O)CCCCCCCC(O)=O CCCCCCCCC(O)C(O)CCCCCCCC(O)=O is A hydroxy-fatty acid formally derived from octacecanoic (stearic) acid by hydroxy substitution at positions 9 and 10. It is a conjugate acid of 9,10-dihydroxystearate . It is also related to or classified as hydroxyoctadecanoic acid , dihydroxy monocarboxylic acid .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is conjugate base of vitexin 2''-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)[O-])OO C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)[O-])OO is an icosanoid anion that is the conjugate base of (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosapentaenoate .
The molecule [H]C(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C [H]C(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C is A neoxanthin in which all of the double bonds have trans geometry except for that at the 9' position, which is cis. It is also related to or classified as neoxanthin  . It is also related to or classified as 9-cis-epoxycarotenoid  .
The molecule [Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O [Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O is the monosodium salt of ertapenem. It is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract. It is more stable to  renal dehydropeptidase I tham imipenem, and so unlike imipenem, its use with cilastatin, which inhibits the enzyme, is not required. It has the role of antibacterial drug . It is also related to or classified as organic sodium salt .
The molecule OC1=CC(N)=C(/N=N/C2=CC=3CCC(NC3C=C2)=O)C=C1C OC1=CC(N)=C(/N=N/C2=CC=3CCC(NC3C=C2)=O)C=C1C is zL0420 is a potent and selective bromodomain-containing protein 4 (BRD4) inhibitor with IC50 values of 27 nM against BRD4 BD1 and 32 nM against BRD4 BD2. It is also related to or classified as organic molecular entity .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O [NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O)C(=O)NCC([O-])=O)C([O-])=O is A doubly-charged peptide anion arising from deprotonation of the four carboxy groups and protonation of the two amino groups of glutathione disulfide; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as peptide anion .
The molecule C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)[O-] C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)[O-] is an octadecanoid anion that is the conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic 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 octadecanoid anion , polyunsaturated fatty acid anion .
The molecule OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2C(=O)CNC=Nc12 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2C(=O)CNC=Nc12 is A coformycin that is dehydrocoformycin with the hydroxy group at position 2 replaced with a hydrogen. Its functional parent is dehydrocoformycin . It is also related to or classified as coformycins .
The molecule O1C([C@@H](OC(=O)C)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=CC=C4)CO O1C([C@@H](OC(=O)C)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=CC=C4)CO is Chrysin 7-(4''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule N[C@@H](CC(O)=O)C(O)=O N[C@@H](CC(O)=O)C(O)=O is the L-enantiomer of aspartic acid. It has the role of neurotransmitter . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of L-aspartate(1-) .  It is also related to or classified as aspartic acid  . It is also related to or classified as L-alpha-amino acid  . It is also related to or classified as aspartate family amino acid , proteinogenic amino acid .
The molecule O[C@H](COP([O-])([O-])=O)[C@H](O)CC(=O)C([O-])=O O[C@H](COP([O-])([O-])=O)[C@H](O)CC(=O)C([O-])=O is an organophosphate oxoanion that is a trianion obtained via deprotonation of the carboxy and phosphate OH groups of 6-phospho-2-dehydro-3-deoxy-D-galactonic 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 , carbohydrate acid derivative anion .
The molecule C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)[O-] C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)[O-] is an EpETE(1-) that is the conjugate base of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is 8(R)-HPETE(1-) . It is also related to or classified as EpETE(1-) , icosanoid anion , organic molecular entity .
The molecule CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(O)=O CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(O)=O is A C18, straight-chain, hydroxy fatty acid composed of linoleic acid having an (R)-hydroxy group at the 8-position. Its functional parent is linoleic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , straight-chain fatty acid .
The molecule O=C(c1ccccc1)c1cn[nH]c1 O=C(c1ccccc1)c1cn[nH]c1 is 4-benzoylpyrazole. It is also related to or classified as benzoylpyrazole  . It is also related to or classified as aromatic ketone .