anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCC[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O CCCCCCCC[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(5,8,10)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (5Z,8Z,11Z)-icosatrienoate . It is also related to or classified as hydroperoxyicosatrienoate .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine in which the acyl substituent at position 2 is specified as acetyl. It is also related to or classified as 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine  .
The molecule O=Nc1c(nc2ccccn12)-c1ccccc1 O=Nc1c(nc2ccccn12)-c1ccccc1 is A member of the class of imidazopyridines that is imidazo[1,2-a]pyridine substituted at positions 2 and 3 by phenyl and nitroso groups respectively. It is also related to or classified as nitroso compound , imidazopyridine .
The molecule Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2 Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.Cc1ccc(cc1)S([O-])(=O)=O.C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2 is an organosulfonate salt that is the tetrakis(p-toluenesulfonate) salt of meso-tetrakis(N-methyl-4-pyridyl)porphine. It has the role of antineoplastic agent . It has the role of photosensitizing agent . It has the role of angiogenesis inhibitor . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor . It is also related to or classified as organosulfonate salt .
The molecule CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/CCCC([O-])=O CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 12-HPEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of platelet aggregation inhibitor . Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate . It is also related to or classified as hydroperoxyicosapentaenoate .
The molecule c1ccc(cc1)-c1nn(-c2ccccc2)[n+](n1)-c1ccccc1 c1ccc(cc1)-c1nn(-c2ccccc2)[n+](n1)-c1ccccc1 is an organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5. It is also related to or classified as organic cation .
The molecule CCCCC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCC([O-])=O CCCCC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate . It is also related to or classified as 12-HPE(8,10,14)TrE(1-)  .
The molecule CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(=O)OC CCCCC\C=C/C[C@@H](OO)\C=C\C=C/C\C=C/CCCC(=O)OC is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(R)-HPETE with methanol. Its functional parent is 12(R)-HPETE . Its functional parent is methyl arachidonate .  It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as hydroperoxy fatty ester .
The molecule CCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O CCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as tetradecyl. It is also related to or classified as 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as acetyl. Its functional parent is acetic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine(1+)  .
The molecule CCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as dodecyl. It is also related to or classified as 1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CC\C=C/C\C=C/C[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCC([O-])=O CC\C=C/C\C=C/C[C@H](OO)\C=C\C=C/C\C=C/C\C=C/CCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 14(S)-HPDHE, 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 14-HPDHE(1-)  .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC is A 1,2-diglyceride obtained by the formal acylation of positions 1 and 2 of glycerol by hexadecanoic (palmitic) acid. Its functional parent is hexadecanoic acid . It is also related to or classified as dihexadecanoylglycerol  . It is also related to or classified as 1,2-diglyceride  .
The molecule CCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as tetradecyl. It is also related to or classified as 1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CCCCC\C=C/C[C@@H](OO)\C=C\C=C/CCCCC([O-])=O CCCCC\C=C/C[C@@H](OO)\C=C\C=C/CCCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is gamma-linolenate . It is also related to or classified as 10-HPO(6,8,12)TrE(1-)  .
The molecule CCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as decyl. It is also related to or classified as 1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O CCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as dodecyl. It is also related to or classified as 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CN(C)CCCl CN(C)CCCl is A tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom. It is also related to or classified as organochlorine compound  . It is also related to or classified as tertiary amino compound .
The molecule CCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O CCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(C)=O is A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as decyl. It is also related to or classified as 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule Cl.CN(C)CCCl Cl.CN(C)CCCl is A hydrochloride obtained by combining 2-dimethylaminoethyl chloride with one molar equivalent of hydrochloric acid. It is also related to or classified as hydrochloride , organoammonium salt .
The molecule CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC is A phosphatidic acid in which the phosphatidyl acyl groups are both palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidic acid  .
The molecule C[NH+](C)CCCl C[NH+](C)CCCl is an organic cation obtained by protonation of the tertiary amino function of 2-dimethylaminoethyl chloride. It is a conjugate acid of 2-dimethylaminoethyl chloride . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCC\C=C/C\C=C/C=C/[C@@H](C\C=C/CCCC(=O)OC)OO CCCCC\C=C/C\C=C/C=C/[C@@H](C\C=C/CCCC(=O)OC)OO is A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(R)-HPETE with methanol. Its functional parent is icosa-5,9,11,14-tetraenoic acid . It is also related to or classified as 8-HPETE methyl ester  .
The molecule OS(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S(O)(=O)=O OS(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S(O)(=O)=O is A member of the class of phenanthrolines that is 4,7-diphenyl-1,10-phenanthroline carrying two additional sulfo substituents at positions 4' and 4''. It has the role of iron chelator . It is also related to or classified as arenesulfonic acid , phenanthrolines .
The molecule [Cl-].CC[N+](CC)(CC)CC [Cl-].CC[N+](CC)(CC)CC is A quarternary ammonium chloride salt in which the cation has four ethyl substituents around the central nitrogen. It has the role of potassium channel blocker . It is also related to or classified as quaternary ammonium salt , organic chloride salt .
The molecule CCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl). It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 6:0  . It is also related to or classified as hexanoate ester  .
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)COC(=O)C2 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(C)O)[C@@]1(C)COC(=O)C2 is oxandrolone. It has the role of anabolic agent . It has the role of androgen . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo steroid  . It is also related to or classified as anabolic androgenic steroid , oxa-steroid .
The molecule [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] is A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has the role of NMR solvent . It has the role of polar aprotic solvent . It is also related to or classified as propanones , deuterated compound .
The molecule C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCNCCCCN C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCCNCCCCN is A member of the class of bleomycins that is used in sclerotherapy for cervicofacial lymphatic malformations. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of bacterial metabolite . It is also related to or classified as bleomycin .
The molecule OC(=O)CCc1nc(-c2ccccc2)c(o1)-c1ccccc1 OC(=O)CCc1nc(-c2ccccc2)c(o1)-c1ccccc1 is A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is  non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug . It has the role of analgesic . Its functional parent is propionic acid . It is also related to or classified as monocarboxylic acid , 1,3-oxazoles .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])([O-])=O is A 2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3. It has the role of mammalian metabolite . Its functional parent is arachidonate . It is also related to or classified as 2-acyl-sn-glycero-3-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as palmitoyl while the phosphatidyl acyl groups are both specified as oleoyl; major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-)  .
The molecule CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as capryl (decanoyl). It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  . It is also related to or classified as decanoate ester  .
The molecule CO\C=C(/C(/C)=C\C=C\c1ccccc1)\C(=O)OC CO\C=C(/C(/C)=C\C=C\c1ccccc1)\C(=O)OC is an enoate ester that is the methyl ester of (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoic acid. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as enol ether  . It is also related to or classified as enoate ester  .
The molecule C[C@@H]1CCC[NH2+]1 C[C@@H]1CCC[NH2+]1 is an organic cation obtained by protonation of the imino group of (R)-2-methylpyrrolidine. It is the major microspecies at pH 7.3. It is a conjugate acid of (R)-2-methylpyrrolidine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O is A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. It has the role of anxiolytic drug . It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,4-benzodiazepinone .
The molecule CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3. Its functional parent is octanoate . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S([O-])(=O)=O [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S([O-])(=O)=O is an organic sodium salt having 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonate as the counterion. It has the role of iron chelator . It is also related to or classified as organic sodium salt .
The molecule CCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O CCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O is A 1-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is specified as caproyl (hexanoyl). Its functional parent is hexanoate . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-)  .
The molecule CC1=[NH+]CCC1 CC1=[NH+]CCC1 is an iminium ion obtained by protonation of the imino group of 2-methyl-1-pyrroline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 2-methyl-1-pyrroline . It is also related to or classified as iminium ion .
The molecule Nc1cc(C=O)ccc1O Nc1cc(C=O)ccc1O is A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde bearing an additional amino substituent at position 3. It has the role of bacterial metabolite . It is also related to or classified as hydroxybenzaldehyde  . It is also related to or classified as substituted aniline .
The molecule Cc1cc(C[C@H]([NH3+])C([O-])=O)ccc1O Cc1cc(C[C@H]([NH3+])C([O-])=O)ccc1O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 3-methyl-L-tyrosine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule [O-]S(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S([O-])(=O)=O [O-]S(=O)(=O)c1ccc(cc1)-c1ccnc2c1ccc1c(ccnc21)-c1ccc(cc1)S([O-])(=O)=O is an organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid. It is also related to or classified as organosulfonate oxoanion  .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O is A cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid. It has the role of human metabolite . It is also related to or classified as cholesteryl ester  . It is also related to or classified as acetate ester  .
The molecule OB1OCc2ccccc12 OB1OCc2ccccc12 is A member of the class of benzoxaboroles that is 2,1-benzoxaborole in which the hydrogen attached to the boron atom is replaced by a hydroxy group. It is also related to or classified as benzoxaborole .
The molecule Cc1nc2nc(N)nc(O)c2nc1C Cc1nc2nc(N)nc(O)c2nc1C is A 2-amino-4-hydroxypteridine carrying two additional methyl substituents at positions 6 and 7. It is also related to or classified as 2-amino-4-hydroxypteridine  .
The molecule ONc1ncnc2[nH]cnc12 ONc1ncnc2[nH]cnc12 is A member of the class of 6-aminopurinnes that is adenine in which one of the exocyclic amino hydrogens is replaced by a hydroxy group. It has the role of mutagen . It has the role of teratogenic agent . Its functional parent is adenine . It is also related to or classified as 6-aminopurines  . It is also related to or classified as hydroxylamines , nucleobase analogue .
The molecule Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O Cl.[Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O is A hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid. It has the role of antimetabolite . It has the role of vitamin B1 antagonist . It is also related to or classified as hydrochloride .
The molecule Cc1cc(C[C@H]([NH3+])C([O-])=O)cc(O)c1O Cc1cc(C[C@H]([NH3+])C([O-])=O)cc(O)c1O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-L-tyrosine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](C2)OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1 C[N@@H+]1[C@H]2CC[C@@H]1C[C@@H](C2)OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1 is an organic phosphonate that is phenylphosphonic acid diesterified with tropinium and 4-nitrophenol. Its functional parent is 4-nitrophenol . Its functional parent is tropinium . It is also related to or classified as aryl phosphonate .
The molecule [Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O [Cl-].Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O is A organic chloride salt having oxythiamine as the counterion. It has the role of antimetabolite . It has the role of vitamin B1 antagonist . It is also related to or classified as organic chloride salt .
The molecule CCCCC(=O)Oc1ccccc1C(O)=O CCCCC(=O)Oc1ccccc1C(O)=O is A valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group. It has the role of cyclooxygenase 1 inhibitor . Its functional parent is salicylic acid .   It is also related to or classified as valerate ester  . It is also related to or classified as benzoic acids , salicylates .
The molecule CCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCC CCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dicapryl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[NH3+])NC(=O)CCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[NH3+])NC(=O)CCCCC is an N-acylsphingosine-1-phosphoethanolamine zwitterion in which the N-acyl group is specified as hexanoyl. It is also related to or classified as N-acylsphingosine 1-phosphoethanolamine zwitterion  .
The molecule Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1O is A 1,3-thiazolium cation that is 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole alkylated at the N3 position by a (2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl group. It has the role of antimetabolite . It has the role of vitamin B1 antagonist . It is also related to or classified as 1,3-thiazolium cation .
The molecule CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CCC1=C[C@@](C)(CC[C@@]21O)C=C CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CCC1=C[C@@](C)(CC[C@@]21O)C=C is A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 9beta-positions. It has the role of plant metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule C[C@H](O)[C@H](C)[C@H]([NH3+])C([O-])=O C[C@H](O)[C@H](C)[C@H]([NH3+])C([O-])=O is an amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of (4S)-4-hydroxy-L-isoleucine; major species at pH 7.3. It has the role of plant metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule NC(=O)N1c2ccccc2CC(=O)c2ccccc12 NC(=O)N1c2ccccc2CC(=O)c2ccccc12 is A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy. It has the role of anticonvulsant . It has the role of drug allergen .  It is also related to or classified as dibenzoazepine  . It is also related to or classified as cyclic ketone .
The molecule CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3[C@@H](O)C[C@H]12 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3[C@@H](O)C[C@H]12 is A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 7beta-positions. It has the role of plant metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3CC[C@H]12 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3CC[C@H]12 is A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3alpha-position. It has the role of plant metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule Cc1cccc2c(cc(O)cc12)C([O-])=O Cc1cccc2c(cc(O)cc12)C([O-])=O is A member of the class of naphthoates that is 1-naphthoate substituted at positions 3 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as naphthoate  .
The molecule Cc1cccc2c(cccc12)C([O-])=O Cc1cccc2c(cccc12)C([O-])=O is A member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as naphthoate  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A phosphatidylethanolamine 38:6 zwitterion in which the acyl substituents at positions 1 and 2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is also related to or classified as phosphatidylethanolamine 38:6 zwitterion  .
The molecule CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is also related to or classified as 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-)  .