The molecule <smiles>CCC(C)C\C=C\C(C)C</smiles> <smiles>CCC(C)C\C=C\C(C)C</smiles> is an  alkene that is (3E)-oct-3-ene substituted by methyl groups at positions 2 and 6. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as alkene  .


The molecule <smiles>NC(=N)NCCCC(=N)C(O)=O</smiles> <smiles>NC(=N)NCCCC(=N)C(O)=O</smiles> is A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine. It has the role of bacterial metabolite .    It is also related to or classified as ketimine  . It is also related to or classified as arginine derivative , dehydroamino acid , guanidines .


The molecule <smiles>CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O</smiles> <smiles>CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O</smiles> is A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. It has the role of uricosuric drug .  It is also related to or classified as sulfonamide  . It is also related to or classified as benzoic acids .


The molecule <smiles>CCCCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C</smiles> <smiles>CCCCCCCCCCCCCCCCCc1oc(=O)cc(O)c1C</smiles> is A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and heptadecyl groups respectively. It is also related to or classified as heteroaryl hydroxy compound , 2-pyranones .


The molecule <smiles>OC[C@H]1CCCN1</smiles> <smiles>OC[C@H]1CCCN1</smiles> is the D-enantiomer of prolinol. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as prolinol  .


The molecule <smiles>CCCC(C)CC(C)CC</smiles> <smiles>CCCC(C)CC(C)CC</smiles> is an alkane that is  octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as alkane  .


The molecule <smiles>CN(C)C(C)=O</smiles> <smiles>CN(C)C(C)=O</smiles> is A member of the class of  acetamides that is  acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is acetamide .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as acetamides .


The molecule <smiles>CC(C)NCC(C)(C)N</smiles> <smiles>CC(C)NCC(C)(C)N</smiles> is A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N(1) and a methyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as primary aliphatic amine  . It is also related to or classified as secondary aliphatic amine  .


The molecule <smiles>CCC(C)NC</smiles> <smiles>CCC(C)NC</smiles> is A secondary aliphatic amine that is sec-butylamine substituted by a methyl group at the N atom. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is sec-butylamine . It is also related to or classified as secondary aliphatic amine  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@H](C)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCC[C@H](C)C(O)=O</smiles> is A methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the S-enantiomer). Its functional parent is heptadecanoic acid . It is a conjugate acid of (2S)-2-methylheptadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as branched-chain saturated fatty acid , methyl-branched fatty acid .


The molecule <smiles>CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C</smiles> <smiles>CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C</smiles> is A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood. It has the role of antioxidant . It has the role of anti-inflammatory drug . It has the role of cardiovascular drug . It has the role of antilipemic drug . It has the role of anticholesteremic drug . It is also related to or classified as polyphenol , dithioketal .


The molecule <smiles>CC(C)C(=O)OC(=O)C(C)C</smiles> <smiles>CC(C)C(=O)OC(=O)C(C)C</smiles> is an acyclic carboxylic anhydride of  isobutyric acid. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is isobutyric acid . It is also related to or classified as acyclic carboxylic anhydride .


The molecule <smiles>CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C</smiles> <smiles>CCCCCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C</smiles> is A  diester obtained by the formal condensation of both the carboxy group of oxalic acid with the hydroxy groups of allyl alcohol and  stearyl alcohol respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is allyl alcohol . Its functional parent is oxalic acid . Its functional parent is octadecan-1-ol .  It is also related to or classified as diester  . It is also related to or classified as dicarboxylic acids and O-substituted derivatives .


The molecule <smiles>COC(=O)C(=O)c1ccccc1</smiles> <smiles>COC(=O)C(=O)c1ccccc1</smiles> is the methyl ester of  phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is phenylglyoxylic acid . It is also related to or classified as methyl ester  . It is also related to or classified as alpha-ketoester  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@H](C)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCC[C@H](C)C([O-])=O</smiles> is A 2-methyl fatty acid anion that is the conjugate base of (2S)-2-methyl-heptadecanoic 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 2-methyl fatty acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl</smiles> is an  organosilicon compound that is docosylsilane in which the hydrogens attached to the Si atom have been replaced by chloro groups. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as chlorine molecular entity , organosilicon compound .


The molecule <smiles>CCCCCC(C)CCC=C</smiles> <smiles>CCCCCC(C)CCC=C</smiles> is an alkene that is dec-1-ene substituted by a methyl group at position 5. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as alkene  .


The molecule <smiles>CN(C)C(=O)N(C)C</smiles> <smiles>CN(C)C(=O)N(C)C</smiles> is A member of the class of ureas that is urea substituted by methyl groups at positions 1, 1, 3 and 3 respectively. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as ureas .


The molecule <smiles>O=S(CC1C(C1c1ccccc1)c1ccccc1)c1ccccc1</smiles> <smiles>O=S(CC1C(C1c1ccccc1)c1ccccc1)c1ccccc1</smiles> is A sulfoxide in which the S atom is substituted by a phenyl and (2,3-diphenylcyclopropyl)methyl group. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as benzenes , cyclopropanes .


The molecule <smiles>CCCCCCC(C)CC(C)CCC</smiles> <smiles>CCCCCCC(C)CC(C)CCC</smiles> is an alkane that is  dodecane substituted by methyl groups at positions 4 and 6. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as alkane  .


The molecule <smiles>CCOC(=O)C(=O)c1ccccc1</smiles> <smiles>CCOC(=O)C(=O)c1ccccc1</smiles> is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is phenylglyoxylic acid . It is also related to or classified as ethyl ester  .


The molecule <smiles>CCC(C)CCC(CO)C(C)C</smiles> <smiles>CCC(C)CCC(CO)C(C)C</smiles> is A primary alcohol that is 1-heptanol substituted by an isopropyl group at position 2 and a methyl group at position 5. It has the role of human metabolite . It is also related to or classified as primary alcohol  .


The molecule <smiles>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</smiles> <smiles>C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C</smiles> is an  organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as organosiloxane .


The molecule <smiles>CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC</smiles> <smiles>CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC</smiles> is an organic disulfide that results from the formal oxidative dimerisation of 2-methylundecane-2-thiol. It has the role of human metabolite . It is also related to or classified as organic disulfide  .


The molecule <smiles>CCCCCCCCCCCC(C)C</smiles> <smiles>CCCCCCCCCCCC(C)C</smiles> is A long-chain alkane that is tridecane substituted by a methyl group at position 2. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as long-chain alkane  .


The molecule <smiles>C=COC(=O)c1ccccc1</smiles> <smiles>C=COC(=O)c1ccccc1</smiles> is an  enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as benzoate ester .


The molecule <smiles>CCCNC(=O)c1ccccc1</smiles> <smiles>CCCNC(=O)c1ccccc1</smiles> is A member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is benzamide . It is also related to or classified as benzamides .


The molecule <smiles>CC1(NCCS1)C(N)=O</smiles> <smiles>CC1(NCCS1)C(N)=O</smiles> is A  thiazolidinecarboxamide that is 1,3-thiazolidine-2-carboxamide substituted by a methyl group at position 2. It has the role of human metabolite . It is also related to or classified as thiazolidinecarboxamide .


The molecule <smiles>CCC(C)CCC(C)CCCCC(C)C</smiles> <smiles>CCC(C)CCC(C)CCCCC(C)C</smiles> is an alkane that is dodecane substituted by methyl groups at positions 2, 7 and 10. It has the role of human metabolite . It is also related to or classified as alkane  .


The molecule <smiles>CC(C)NCCN</smiles> <smiles>CC(C)NCCN</smiles> is A primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has the role of human metabolite . It is also related to or classified as primary aliphatic amine  . It is also related to or classified as secondary aliphatic amine  .


The molecule <smiles>CCCCCC(C)CC(C)CCC</smiles> <smiles>CCCCCC(C)CC(C)CCC</smiles> is an  alkane that is  undecane substituted by methyl groups at positions 4 and 6. It has the role of human metabolite . It is also related to or classified as alkane  .


The molecule <smiles>CCCCNC=O</smiles> <smiles>CCCCNC=O</smiles> is A member of the class of  formamides that is  formamide substituted by a butyl group at the N atom. It has the role of human metabolite . Its functional parent is formamide . It is also related to or classified as formamides .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(C)C</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC(C)C</smiles> is A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with  propan-2-ol. Metabolite observed in cancer metabolism. It has the role of human metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as isopropyl ester  . It is also related to or classified as fatty acid ester  .


The molecule <smiles>CC(CNC(S)=S)NC(S)=S</smiles> <smiles>CC(CNC(S)=S)NC(S)=S</smiles> is A member of the class or dithiocarbamic acids resulting from the formal addition of a molecule of carbon disulfide to each of the nitrogens of propylenediamine. Its functional parent is propylenediamine . It is a conjugate acid of propylene 1,2-bis(dithiocarbamate) . It is also related to or classified as dithiocarbamic acids  .


The molecule <smiles>CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> <smiles>CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> is A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group.  It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. It has the role of anti-arrhythmia drug . It has the role of sodium channel blocker . It has the role of platelet aggregation inhibitor . It is also related to or classified as benzamides .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC</smiles> is A long-chain alkane consisting of an unbranched chain of 44 carbon atoms. It has the role of human metabolite . It is also related to or classified as long-chain alkane  .


The molecule <smiles>CN1CCN(CCN)CC1</smiles> <smiles>CN1CCN(CCN)CC1</smiles> is A N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively. It has the role of human metabolite . It is also related to or classified as N-alkylpiperazine .


The molecule <smiles>CCCCCCCCCCCCC(C)O</smiles> <smiles>CCCCCCCCCCCCC(C)O</smiles> is A fatty alcohol that is tetradecane substituted by a hydroxy group at position 2. It has the role of human metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .


The molecule <smiles>CCCC(C)(CC)OC</smiles> <smiles>CCCC(C)(CC)OC</smiles> is an ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3. It has the role of human metabolite . It is also related to or classified as ether  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as myristoyl and oleoyl respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylethanolamine 32:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 32:1 zwitterion  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>[H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> <smiles>[H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1</smiles> is A hydrochloride which has procainamide as the amino component. It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .


The molecule <smiles>N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O</smiles> <smiles>N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O</smiles> is an L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma. It has the role of human urinary metabolite . Its functional parent is L-dopa . It is also related to or classified as diamine  .  It is also related to or classified as catechols  . It is also related to or classified as L-tyrosine derivative , aryl sulfide , amino dicarboxylic acid , S-organyl-L-cysteine , S-conjugate .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .


The molecule <smiles>NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O</smiles> <smiles>NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O</smiles> is A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite . It is also related to or classified as phenols  . It is also related to or classified as dicarboxylic acid , benzothiazine , non-proteinogenic alpha-amino acid .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of the hydroxy group of cholesterol with the carboxy group of myristic acid. It has the role of mouse metabolite . It is also related to or classified as cholesteryl ester  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .


The molecule <smiles>[NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O</smiles> <smiles>[NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of anticapsin; major species at pH 7.3. It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of bacterial metabolite . It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor . It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CCCCCCCC(=O)OC[C@@H](O)CO</smiles> <smiles>CCCCCCCC(=O)OC[C@@H](O)CO</smiles> is A 1-acyl-sn-glycerol that has octanoyl as the 1-acyl group. It is also related to or classified as 1-acyl-sn-glycerol  . It is also related to or classified as 1-monooctanoylglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O</smiles> is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxytricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is tricosanoate . It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid . It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .


The molecule <smiles>CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with  pentadecanoic acid. It has the role of mouse metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as cholesteryl ester  .


The molecule <smiles>CCCCCCCC(=O)OCC(O)CO</smiles> <smiles>CCCCCCCC(=O)OCC(O)CO</smiles> is A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol. It is also related to or classified as rac-1-monoacylglycerol  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](O)CO</smiles> <smiles>CCCCCCCC(=O)OC[C@H](O)CO</smiles> is A 3-acyl-sn-glycerol that has octanoyl as the 3-acyl group. It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-monooctanoylglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is tricosanoic acid substituted by a hydroxy group at position 2. It has the role of animal metabolite . It has the role of marine metabolite . Its functional parent is tricosanoic acid . It is a conjugate acid of 2-hydroxytricosanoate . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .


The molecule <smiles>N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O</smiles> <smiles>N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O</smiles> is an alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3. It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of bacterial metabolite . It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor . It is also related to or classified as epoxide  . It is also related to or classified as alicyclic ketone , non-proteinogenic L-alpha-amino acid , L-alanine derivative .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid . It is a conjugate acid of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .


The molecule <smiles>N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O</smiles> <smiles>N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O</smiles> is an L-tyrosine derivative that is L-DOPA in which the hydrogens at positions 2 and 5 on the phenyl ring are replaced by cysteinyl groups. Found in the urine of patients with melanoma. It has the role of human urinary metabolite . Its functional parent is L-dopa .   It is also related to or classified as catechols  .  It is also related to or classified as triamine  . It is also related to or classified as tricarboxylic acid , L-tyrosine derivative , aryl sulfide , S-organyl-L-cysteine , S-conjugate .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C(O)=O</smiles> is an ultra-long-chain fatty acid that is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid . It is a conjugate acid of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .


The molecule <smiles>CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1</smiles> <smiles>CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1</smiles> is A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolines , pyridoquinoline , N-acylpiperazine , N-arylpiperazine .


The molecule <smiles>N[C@@H](CNC(=O)\C=C\C(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CNC(=O)\C=C\C(O)=O)C(O)=O</smiles> is an L-alanine derivative obtained by formal condensation of one of the carboxy groups of fumaric acid with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite . Its functional parent is 3-amino-L-alanine . Its functional parent is fumaric acid . It is a conjugate acid of N(3)-fumaroyl-(S)-2,3-diaminopropanoate . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as dicarboxylic acid monoamide , non-proteinogenic L-alpha-amino acid , L-alanine derivative .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .


The molecule <smiles>Cl.Cl.NC(=N)NCCCCCCCCCCNC(N)=N</smiles> <smiles>Cl.Cl.NC(=N)NCCCCCCCCCCNC(N)=N</smiles> is A hydrochloride resulting from the reaction of decamethylenediguanidine with 2 mol eq. of hydrogen chloride. It has the role of hypoglycemic agent . It has the role of hepatotoxic agent . It has the role of nephrotoxic agent . It is also related to or classified as hydrochloride , guanidinium salt .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with margaric acid. It has the role of mouse metabolite . Its functional parent is heptadecanoic acid . It is also related to or classified as cholesteryl ester  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCC(O)C([O-])=O</smiles> is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxynervonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (15Z)-tetracosenoate . It is also related to or classified as 2-hydroxy fatty acid anion 24:1  .


The molecule <smiles>NC(=N)NCCCCCCCCCCNC(N)=N</smiles> <smiles>NC(=N)NCCCCCCCCCCNC(N)=N</smiles> is A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions. It has the role of hypoglycemic agent . It has the role of hepatotoxic agent . It has the role of nephrotoxic agent . It is also related to or classified as guanidines .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with palmitoleic acid. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as CE(16:1)  .


The molecule <smiles>NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+]</smiles> <smiles>NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+]</smiles> is A guanidinium ion resulting from the protonation of the two imine nitrogens of synthalin A. It is a conjugate acid of synthalin A . It is also related to or classified as guanidinium ion  .


The molecule <smiles>CCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with cis-9-heptadecenoic acid. It has the role of mouse metabolite . Its functional parent is (9Z)-heptadecenoic acid . It is also related to or classified as CE(17:1)  .


The molecule <smiles>N[C@@H](CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CNC(=O)\C=C\C(N)=O)C(O)=O</smiles> is an L-alanine derivative obtained by formal condensation of the carboxy group of fumaric acid monoamide with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite . Its functional parent is 3-amino-L-alanine . Its functional parent is fumaric acid . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as L-alanine derivative .


The molecule <smiles>NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O</smiles> <smiles>NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O</smiles> is A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite . It is also related to or classified as lactam  . It is also related to or classified as phenols  . It is also related to or classified as benzothiazine , non-proteinogenic alpha-amino acid .


The molecule <smiles>NC(Cc1cc(O)c2ncsc2c1)C(O)=O</smiles> <smiles>NC(Cc1cc(O)c2ncsc2c1)C(O)=O</smiles> is A member of the class of benzothiazoles bearing hydroxy and 2-amino-2-carboxyethyl substituents at positions 4 and 6 respectively. It has the role of human metabolite . It is also related to or classified as phenols  . It is also related to or classified as benzothiazoles , non-proteinogenic alpha-amino acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with all-cis-icosa-8,11,14-trienoic acid. It has the role of mouse metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as cholesteryl icosatrienoate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC</smiles> is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O</smiles> <smiles>COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O</smiles> is A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of angiogenesis modulating agent . It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor . Its functional parent is curcumin . It is also related to or classified as polyphenol , pyrazoles , aromatic ether , olefinic compound .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS([O-])(=O)=O)C(O)C1O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS([O-])(=O)=O)C(O)C1O</smiles> is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>[NH3+][C@@H](CNC(=O)\C=C\C([O-])=O)C([O-])=O</smiles> <smiles>[NH3+][C@@H](CNC(=O)\C=C\C([O-])=O)C([O-])=O</smiles> is an alpha-amino-acid anion that is the conjugate base of N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC</smiles> is A polyacyl alpha,alpha-trehalose derivative that is 2'-sulfo-alpha,alpha-trehalose carrying palmitoyl and stearoyl groups at positions 2 and 3 respectively. It has the role of bacterial metabolite . It is a conjugate acid of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose(1-) . It is also related to or classified as sulfoglycolipid , trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .


The molecule <smiles>CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1</smiles> <smiles>CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1</smiles> is A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. It has the role of xenobiotic . It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It has the role of environmental contaminant . It has the role of antifungal agrochemical . It is also related to or classified as trichlorobenzene  . It is also related to or classified as aromatic ether , ureas , amide fungicide , conazole fungicide , imidazole fungicide , imidazoles .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid. It has the role of mouse metabolite . Its functional parent is alpha-linolenic acid . It is also related to or classified as cholesteryl octadecatrienoate  .


The molecule <smiles>O[C@@H]1CC=C(CC(=O)C(O)=O)C=C1</smiles> <smiles>O[C@@H]1CC=C(CC(=O)C(O)=O)C=C1</smiles> is A 3,4-dihydro-4-hydroxyphenylpyruvic acid having R-configuration. It is a conjugate acid of (4R)-3,4-dihydro-4-hydroxyphenylpyruvate . It is also related to or classified as 3,4-dihydro-4-hydroxyphenylpyruvic acid  .


The molecule <smiles>COC(=O)Cc1cc2C(=O)c3cccc([O-])c3C(=O)c2c(O)c1C(=O)CC(C)=O</smiles> <smiles>COC(=O)Cc1cc2C(=O)c3cccc([O-])c3C(=O)c2c(O)c1C(=O)CC(C)=O</smiles> is A phenolate anion resulting from the removal of a proton from the phenolic hydroxy group at position 5 of methyl nogalonate. The major species at pH 7.3. It is also related to or classified as phenolate anion .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCC)[C@H](OS(O)(=O)=O)[C@@H](O)[C@@H]1O</smiles> is A polyacyl alpha,alpha-trehalose derivative that is 2'-sulfo-alpha,alpha-trehalose carrying a palmitoyl group at position 2 and three stearoyl groups at positions 3, 6 and 6'. It has the role of bacterial metabolite . It is a conjugate acid of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose(1-) . It is also related to or classified as sulfoglycolipid , trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C</smiles> is A cholesterol ester obtained by the formal condensation of  cholesterol with  behenic acid. It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as cholesteryl ester  .


The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)C=C1</smiles> <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)C=C1</smiles> is 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate obtained by deprotonation of the carboxy group of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate  .


The molecule <smiles>NC(=O)\C=C\C(=O)NC[C@H]([NH3+])C([O-])=O</smiles> <smiles>NC(=O)\C=C\C(=O)NC[C@H]([NH3+])C([O-])=O</smiles> is an L-alpha-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the alpha-amino group of N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CC(=O)C(O)C(=O)COP([O-])([O-])=O</smiles> <smiles>CC(=O)C(O)C(=O)COP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-hydroxy-2,4-pentanedione 5-phosphate; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> <smiles>O[C@@H]1CC\C(=C/C(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvic acid, obtained by deprotonation of the carboxy group. It has the role of bacterial metabolite . It is also related to or classified as 2-oxo monocarboxylic acid anion  .


The molecule <smiles>CC(=O)C(O)C(=O)COP(O)(O)=O</smiles> <smiles>CC(=O)C(O)C(=O)COP(O)(O)=O</smiles> is A phosphate monoester that is 1,3-dihydroxypentane-2,4-dione carrying a phospho at position 1. It has the role of bacterial metabolite . It is a conjugate acid of 3-hydroxy-2,4-dioxopentyl phosphate(2-) . It is also related to or classified as secondary alpha-hydroxy ketone  .   It is also related to or classified as phosphate monoester  . It is also related to or classified as secondary alcohol  . It is also related to or classified as methyl ketone , beta-diketone .


The molecule <smiles>N[C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C(O)=O</smiles> <smiles>N[C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C(O)=O</smiles> is an L-alanine derivative in which one of the methyl hydrogens of L-alanine is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group. It has the role of bacterial metabolite . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as oxabicycloalkane , non-proteinogenic L-alpha-amino acid , L-alanine derivative .


The molecule <smiles>O[C@@H]1CC[C@@H](CC(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> <smiles>O[C@@H]1CC[C@@H](CC(=O)C([O-])=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as 2-oxo monocarboxylic acid anion  .


The molecule <smiles>O[C@@H]1CC[C@@H](CC(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> <smiles>O[C@@H]1CC[C@@H](CC(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group (the 1R,2S,5R,6S stereoisomer). It has the role of bacterial metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of 3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvate . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as oxabicycloalkane .


The molecule <smiles>OC[C@]1(O)CC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@]1(O)CC(=O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A member of the class of cyclitols that is valiolone in which the stererocentre at position 5 has been inverted. It has the role of bacterial metabolite . It is also related to or classified as cyclitol  . It is also related to or classified as alicyclic ketone .


The molecule <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> is an organic heterohexacyclic compound that is cladoniamide B in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as dicarboximide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterohexacyclic compound , cladoniamide .


The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)C=C1</smiles> <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)C=C1</smiles> is A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry. It has the role of bacterial metabolite . It is a conjugate acid of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvate . It is also related to or classified as 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid  .


The molecule <smiles>CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O</smiles> <smiles>CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O</smiles> is A member of the class of cyclohexenones that is (1R,5S,6R)-4-amino-5-hydroxy-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one in which one of the amino hydrogens is replaced by an acetyl group. It has the role of bacterial metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as acetamide  . It is also related to or classified as epoxide  .   It is also related to or classified as enone  . It is also related to or classified as oxabicycloalkane , cyclohexenones .


The molecule <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> <smiles>O[C@@H]1CC\C(=C/C(=O)C(O)=O)[C@H]2O[C@@H]12</smiles> is A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene group (the 1R,5R,6S stereoisomer). It has the role of bacterial metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of (3E)-3-[(1R,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]pyruvate . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  .  It is also related to or classified as enone  . It is also related to or classified as oxabicycloalkane .


The molecule <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccc(Cl)cc12</smiles> <smiles>COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccc(Cl)cc12</smiles> is 8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione which is substituted by chlorines at positions 2 and 10, hydroxy groups at positions 5a and 8a, a methoxy group at position 14, and a methyl group at position 7 (the 5aR,8aS diastereoisomer). It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as dicarboximide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterohexacyclic compound , cladoniamide .


The molecule <smiles>[NH3+][C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C([O-])=O</smiles> <smiles>[NH3+][C@@H](C[C@@H]1CC[C@@H](O)[C@@H]2O[C@H]12)C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-dihydroanticapsin; major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>COc1c2-c3[nH]c4ccccc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> <smiles>COc1c2-c3[nH]c4ccccc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccccc12</smiles> is an organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as diol  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as dicarboximide  . It is also related to or classified as organic heterohexacyclic compound , cladoniamide .


The molecule <smiles>CNC(=O)[C@]1(O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n2C1=O</smiles> <smiles>CNC(=O)[C@]1(O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n2C1=O</smiles> is an organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as secondary carboxamide  . It is also related to or classified as lactam  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heteropentacyclic compound , cladoniamide .


The molecule <smiles>O[C@@H]1[C@H](O)C(=O)C[C@@](O)(COP([O-])([O-])=O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@H](O)C(=O)C[C@@](O)(COP([O-])([O-])=O)[C@H]1O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-epi-5-epi-valiolone 7-phosphate; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3cc(Cl)ccc3n12</smiles> <smiles>CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3cc(Cl)ccc3n12</smiles> is an organic heteropentacyclic compound that is 7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole substituted by chloro groups at positions 2 and 9, a hydroxy group and an N-methyl carbamyl group at position 6, a methoxy group at position 13, and an oxo group at position 7 (the 6R stereoisomer). It is isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heteropentacyclic compound , cladoniamide .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O</smiles> is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxypentacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is pentacosanoate . It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .


The molecule <smiles>CO[C@H]1[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@@H](C)[C@@H](C)OC1=O)c1ccc(O)cc1</smiles> <smiles>CO[C@H]1[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@@H](C)[C@@H](C)OC1=O)c1ccc(O)cc1</smiles> is A chondramide that is chondramide C in which the pro-S hydrogen at position 2 of the beta-tyrosine residue is replaced by a methoxy group. It is produced by strains of the myxobacterium, Chondromyces crocatus. It has the role of antineoplastic agent . It has the role of bacterial metabolite .  It is also related to or classified as phenols  . It is also related to or classified as indoles , chondramide .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as tricosanoyl. It has the role of mouse metabolite . Its functional parent is tricosanoic acid . It is also related to or classified as Cer(d41:1)  . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CO[C@H]1[C@@H](NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@@H](C)[C@@H](C)OC1=O)c1ccc(O)cc1</smiles> <smiles>CO[C@H]1[C@@H](NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@@H](C)[C@@H](C)OC1=O)c1ccc(O)cc1</smiles> is A chondramide that is chondramide A in which the hydrogen at position 2 of the indole moiety has been replaced by a chlorine. It is produced by strains of the myxobacterium, Chondromyces crocatus. It has the role of antineoplastic agent . It has the role of bacterial metabolite . Its functional parent is chondramide A .  It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as indoles , chondramide .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has myristoyl and palmitoyl as 1- and 2-acyl groups respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as diacylglycerol 30:0  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n12</smiles> <smiles>CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n12</smiles> is an organic heteropentacyclic compound that is cladoniamide E in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis. It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heteropentacyclic compound , cladoniamide .


The molecule <smiles>O[C@@H]1[C@H](O)C(=O)C[C@@](O)(COP(O)(O)=O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@H](O)C(=O)C[C@@](O)(COP(O)(O)=O)[C@H]1O</smiles> is A member of the class of cyclitols that is 2-epi-5-epi-valiolone carrying a phospho substituent at position 7. It has the role of bacterial metabolite . Its functional parent is 2-epi-5-epi-valiolone . It is a conjugate acid of 2-epi-5-epi-valiolone 7-phosphate(2-) . It is also related to or classified as cyclitol  .  It is also related to or classified as phosphate monoester  . It is also related to or classified as alicyclic ketone .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as (17Z)-hexacosenoyl. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has myristoyl and linoleoyl as 1- and 2-acyl groups respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1</smiles> <smiles>C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1</smiles> is A chondramide formally obtained from N-[(2S,4E,6R,7R)-7-hydroxy-2,4,6-trimethyloct-4-enoyl]-L-alanyl-Nalpha-methyl-D-tryptophanyl-beta-R-beta-tyrosine by intramolecular condensation of the alcoholic hydroxy group with the carboxy group of the beta-tyrosine residue. It is produced by strains of the myxobacterium, Chondromyces crocatus. It has the role of antineoplastic agent . It has the role of bacterial metabolite .  It is also related to or classified as phenols  . It is also related to or classified as indoles , chondramide .


The molecule <smiles>C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1</smiles> <smiles>C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1</smiles> is A chondramide that is chondramide C in which the hydrogen at position 2 of the indole moiety is replaced by a chlorine.  It is produced by strains of the myxobacterium, Chondromyces crocatus. It has the role of antineoplastic agent . It has the role of bacterial metabolite . Its functional parent is chondramide C .  It is also related to or classified as phenols  . It is also related to or classified as indoles , chondramide .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is pentacosanoic acid substituted by a hydroxy group at position 2. Its functional parent is pentacosanoic acid . It is a conjugate acid of 2-hydroxypentacosanoate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as very long-chain fatty acid anion  .


The molecule <smiles>COc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC</smiles> <smiles>COc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC</smiles> is A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a beta-D-glucopyranosyl group. It has the role of diuretic . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative , cleistanthins .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoyl and (8Z,11Z,14Z-eicosatrienoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl  respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has palmitoyl and palmitoleoyl as 1- and 2-acyl groups respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is palmitoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoleoyl and stearoyl respectively. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>COC[C@H]1O[C@@H](Oc2c3COC(=O)c3c(-c3ccc4OCOc4c3)c3cc(OC)c(OC)cc23)[C@H](OC)[C@H]1OC</smiles> <smiles>COC[C@H]1O[C@@H](Oc2c3COC(=O)c3c(-c3ccc4OCOc4c3)c3cc(OC)c(OC)cc23)[C@H](OC)[C@H]1OC</smiles> is A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group. It is also related to or classified as monosaccharide derivative , cleistanthins .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoyl and (11Z,14Z)-eicosadienoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is (11Z,14Z)-icosadienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol with myristoyl and palmitoleoyl as 1- and 2-acyl groups respectively. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CO[C@H]1[C@H](O)CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c4COC(=O)c4c(-c4ccc5OCOc5c4)c4cc(OC)c(OC)cc34)O[C@@H]2CO)[C@@H]1OC</smiles> <smiles>CO[C@H]1[C@H](O)CO[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](Oc3c4COC(=O)c4c(-c4ccc5OCOc5c4)c4cc(OC)c(OC)cc34)O[C@@H]2CO)[C@@H]1OC</smiles> is A member of the class of cleistanthins that is cleistanthin A in which the hydroxy group at position 4 of the glucoside moiety has been converted to the corresponding 2,3-di-O-methyl-beta-D-xylopyranoside. Its functional parent is cleistanthin B . It is also related to or classified as disaccharide derivative , cleistanthins .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoleoyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . Its functional parent is palmitoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>COC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](Oc4c5COC(=O)c5c(-c5ccc6OCOc6c5)c5cc(OC)c(OC)cc45)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC</smiles> <smiles>COC[C@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](Oc4c5COC(=O)c5c(-c5ccc6OCOc6c5)c5cc(OC)c(OC)cc45)[C@H](O)[C@H]3O)[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]1OC</smiles> is A member of the class of cleistanthins that is cleistanthin C in which the hydroxy group at position 4 of the 2,3-di-O-methyl-beta-D-xylopyranosyl moiety has been converted to the corresponding 2,3,5-tri-O-methyl-D-xylofuranoside. Its functional parent is cleistanthin C . It is also related to or classified as trisaccharide derivative , cleistanthins .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoleoyl. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and myristoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and lauroyl respectively. Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-lauroyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP([O-])([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP([O-])([O-])=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and stearoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>COc1c(O)c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> <smiles>COc1c(O)c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> is A 3-demethylubiquinol in which the polyprenyl chain contains 9 prenyl units. It is also related to or classified as 3-demethylubiquinol  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and lauroyl respectively. It is also related to or classified as 1-acyl-2-dodecanoyl-sn-glycero-3-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and palmitoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H](C(O[C@@H]3CO)O)N)O)N)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H](C(O[C@@H]3CO)O)N)O)N)O</smiles> is an amino trisaccharide comprising of three 2-amino-2-deoxy-D-glucopyranose units joined by beta-(1->4) linkages. It has the role of eukaryotic metabolite . It has the role of marine metabolite . It is also related to or classified as amino trisaccharide .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and myristoyl respectively. Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-myristoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and stearoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-stearoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC</smiles> <smiles>COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC</smiles> is A ubiquinol in which the polyprenyl substituent is heptaprenyl. It is also related to or classified as ubiquinol  . It is also related to or classified as polyprenylhydroquinone .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and gondoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 7Z,10Z,13Z,16Z-docosatetraenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 8Z,11Z,14Z-eicosatrienoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC</smiles> <smiles>COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1OC</smiles> is A ubiquinol in which the polyprenyl substituent is nonaprenyl. It has the role of mammalian metabolite . It is also related to or classified as ubiquinol  . It is also related to or classified as polyprenylhydroquinone .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and palmitoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-palmitoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 8Z,11Z,14Z-icosa-8,11,14-trienoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O</smiles> is A dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a heptaprenyl group at the 3-position. It is a conjugate acid of 3,4-dihydroxy-5-all-trans-heptaprenylbenzoate . It is also related to or classified as dihydroxybenzoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as 7Z,10Z,13Z,16Z-docosatetraenoyl. It has the role of mouse metabolite . Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>C(CCCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O</smiles> <smiles>C(CCCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O</smiles> is A polyunsaturated fatty acid anion that is the conjugate base of 13S-HOTrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as long-chain fatty acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 7Z,10Z,13Z,16Z-docosatetraenoyl respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C(O)=O</smiles> is A dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a octaprenyl group at the 3-position. It is a conjugate acid of 3,4-dihydroxy-5-all-trans-octaprenylbenzoate . It is also related to or classified as dihydroxybenzoic acid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl and 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>COc1c(O)c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> <smiles>COc1c(O)c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> is A 3-demethylubiquinol in which the polyprenyl chain contains 7 prenyl units. It is also related to or classified as 3-demethylubiquinol  . It is also related to or classified as hydroquinones  .


The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C([O-])=O</smiles> <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C([O-])=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as heptaprenyl. It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate .


The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C([O-])=O</smiles> <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C([O-])=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as octaprenyl. It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate .


The molecule <smiles>C(=C/C(C/C=C\CCCCC)O)\C=C/C/C=C\CCCC(=O)[O-]</smiles> <smiles>C(=C/C(C/C=C\CCCCC)O)\C=C/C/C=C\CCCC(=O)[O-]</smiles> is an icosanoid anion that is the conjugate base of 12-HETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as icosanoid anion .


The molecule <smiles>CC\C=C/C[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> <smiles>CC\C=C/C[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> is A member of the class of thromboxanes B that is (5Z,13E,17Z)-thromboxa-5,13,17-trien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as thromboxanes B  .


The molecule <smiles>CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O</smiles> <smiles>CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O</smiles> is A monocarboxylic acid amide that is tetradecanamide substituted by an oxo group at position 3 and a (3S)-2-oxotetrahydrofuran-3-yl group at the N atom.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as furans .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine in which the acyl substituents at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 3-sn-phosphatidyl-L-serine  .


The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid in which the polyprenyl component is specified as octaprenyl. It is a conjugate acid of 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate . It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 3-sn-phosphatidyl-L-serine(1-)  .


The molecule <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(=O)[nH]c3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)[C@H]2O)c(=O)n1</smiles> <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(=O)[nH]c3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of two guanosine, one adenosine, one uridine and four cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-C-C-C-C-U-G. It has the role of epitope . It is also related to or classified as RNA fragment .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 36:2(1-) that is the conjugate base of 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as phosphatidylserine 36:2(1-)  .


The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid in which the polyprenyl component is specified as heptaprenyl. It is a conjugate acid of 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate . It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-heptadecanoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-stearoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine(1-)  . It is also related to or classified as lysophosphatidylserine 18:0(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 37:4 in which the acyl substituents at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is heptadecanoic acid . It is also related to or classified as phosphatidylcholine 37:4  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A  triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specified as oleoyl, linoleoyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is oleic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diacyl-3-linoleoylglycerol  . It is also related to or classified as 1,3-diacyl-2-linoleoylglycerol  . It is also related to or classified as triacyl-sn-glycerol  . It is also related to or classified as linoleoyl containing 1,2,3-triacyl-sn-glycerol  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 7 prenyl units; major species at pH 7.3. It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and (9Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite . Its functional parent is linoleic acid . Its functional parent is octadecanoic acid . It is a conjugate acid of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-) . It is also related to or classified as phosphatidylserine(18:0/18:2)  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A N-hexacosenoylsphingosine-1-phosphocholine consisting of sphingosine as the sphingoid base acylated at the N atom by a (17Z)-hexacosenoyl group. It has the role of mouse metabolite . Its functional parent is (17Z)-hexacosenoic acid . It is also related to or classified as N-hexacosenoylsphingosine-1-phosphocholine  .


The molecule <smiles>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)[C@H]2O)c(=O)n1</smiles> <smiles>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of three cytidine, three guanosine and two uridine residues connected by 3'->5' phosphodiester linkages in the sequence C-G-U-U-C-G-C-G. It has the role of epitope . It is also related to or classified as RNA fragment .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in which the acyl group specified is heneicosanoyl. It has the role of mouse metabolite . Its functional parent is henicosanoic acid . It is also related to or classified as sphingomyelin d18:1  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 1-acyl-sn-glycerophosphoserine in which the acyl group is specified as heptadecanoyl. Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)CO</smiles> is A 1-acyl-sn-glycero-3-phosphoglycerol in which the acyl group is specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1-palmitoyl-sn-glycero-3-phosphoglycerol(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in which the acyl group specified is heptadecanoyl. It has the role of mouse metabolite . Its functional parent is heptadecanoic acid . It is also related to or classified as sphingomyelin 35:1  . It is also related to or classified as sphingomyelin d18:1  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is heptadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1</smiles> <smiles>OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1</smiles> is A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3. It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It has the role of antidyskinesia agent . It is also related to or classified as tertiary alcohol  . It is also related to or classified as pyrrolidines .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in whihc the acyl group specified is nonadecanoyl. It has the role of mouse metabolite . Its functional parent is nonadecanoic acid . It is also related to or classified as sphingomyelin d18:1  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as heptadecanoyl. Its functional parent is heptadecanoic acid . It is also related to or classified as lysophosphatidylethanolamine 17:0  . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> is A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 7 prenyl units; major species at pH 7.3. It is also related to or classified as 4-hydroxy-3-polyprenylbenzoate .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+]</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-heptadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A N-octadecenolsphingosine-1-phosphocholine in which the acyl group specified is 9Z-octadecenoyl. It has the role of mouse metabolite . Its functional parent is oleic acid . It is also related to or classified as sphingomyelin d18:1/18:1  .


The molecule <smiles>C[C@]12C[C@@]1(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1</smiles> <smiles>C[C@]12C[C@@]1(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1</smiles> is an azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. It has the role of antifungal agrochemical . It is also related to or classified as azabicycloalkane , dichlorophenyl dicarboximide fungicide .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a heptaprenyl group. It is a conjugate acid of 4-hydroxy-3-all-trans-heptaprenylbenzoate . It is also related to or classified as monohydroxybenzoic acid , olefinic compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)CO</smiles> is A 1-acylglycero-3-phospho-1'-glycerol(1-) in which the 1-acyl substituent is specified as hexadecanoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol(1-)  .


The molecule <smiles>C1C2C[NH2+]CC1c1cc3nccnc3cc21</smiles> <smiles>C1C2C[NH2+]CC1c1cc3nccnc3cc21</smiles> is an organic cation obtained by protonation of the secondary amino group of varenicline. It is a conjugate acid of varenicline . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC</smiles> is A N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl. It has the role of mouse metabolite . Its functional parent is heptadecanoic acid . It is also related to or classified as N-acylsphinganine-1-phosphocholine  .


The molecule <smiles>CCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O</smiles> is A sphingoid 1-phosphate that is hexadecasphing-4-enine substituted by a phospho group at position 1. It has the role of mouse metabolite . Its functional parent is hexadecasphing-4-enine . It is also related to or classified as sphingoid 1-phosphate  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> is A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3. It is also related to or classified as 4-hydroxy-3-polyprenylbenzoate .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as nonaprenyl. It is also related to or classified as 2-polyprenylphenol .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and (8Z,11Z,14Z)-eicosatrienoyl group respectively. It has the role of mouse metabolite . Its functional parent is octadecanoic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as phosphatidylserine(18:0/20:3)  .


The molecule <smiles>C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21</smiles> <smiles>C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21</smiles> is an organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. It has the role of serotonergic agonist . It has the role of nicotinic acetylcholine receptor agonist . It is also related to or classified as bridged compound , organic heterotetracyclic compound , secondary amino compound .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as decaprenyl. It is also related to or classified as 2-polyprenylphenol .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as heptaprenyl. It is also related to or classified as 2-polyprenylphenol .