The molecule <smiles>CCCCC\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)CC[C@H](O)C(C)C</smiles> <smiles>CCCCC\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)CC[C@H](O)C(C)C</smiles> is A sterol ester that is the 3-linoleoyl derivative of (24S)-24-hydroxycholesterol. Its functional parent is linoleic acid . It is also related to or classified as sterol ester  . It is also related to or classified as 24-hydroxy steroid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(O)=O</smiles> is A long-chain omega-6 fatty acid that is docosanoic acid having three double bonds located at positions 10, 13 and 16 (the (10Z,13Z,16Z-geoisomer). It is a conjugate acid of (10Z,13Z,16Z)-docosatrienoate . It is also related to or classified as omega-6 fatty acid , docosatrienoic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O</smiles> is A long-chain polyunsaturated fatty acid anion that is the conjugate base of (10Z,13Z,16Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosatrienoate  .


The molecule <smiles>Nc1ccccc1C(=O)C(O)=O</smiles> <smiles>Nc1ccccc1C(=O)C(O)=O</smiles> is A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group. It has the role of bacterial xenobiotic metabolite . Its functional parent is glyoxylic acid . It is a conjugate acid of 2-aminophenylglyoxylate . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as substituted aniline .


The molecule <smiles>Nc1ccccc1C(=O)C([O-])=O</smiles> <smiles>Nc1ccccc1C(=O)C([O-])=O</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-aminophenylglyoxylic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as 2-oxo monocarboxylic acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A 1-acyl-2-octadecanoyl-sn-glycerol-3-phosphate in which the 1-acyl group is also octadecanoyl. It is a conjugate acid of 1,2-dioctadecanoyl-sn-glycerol-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate  . It is also related to or classified as phosphatidic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A 1-acyl-2-octadecanoyl-sn-glycerol-3-phosphate(2-) in which the 1-acyl group is also octadecanoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-)  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(O)=O)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 3-phosphate in which both phosphatidyl acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP([O-])([O-])=O)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-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=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>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=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 both the acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. 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  . It is also related to or classified as 1,2-dicervonoylglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)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 3-phosphate(2-) in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)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 3-phosphate in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which both acyl groups are specified as palmitoyl (hexadecanoyl). It has the role of mouse metabolite . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1,2-dipalmitoylglycerol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC</smiles> is A fatty acid ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of oleic acid. It has the role of human metabolite . Its functional parent is oleic acid . Its functional parent is butan-1-ol . It is also related to or classified as fatty acid ester  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=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>CCCCCCCCCCCCCCCC(=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 palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is hexadecanoic 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>CCC(CO)C(O)=O</smiles> <smiles>CCC(CO)C(O)=O</smiles> is A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. It has the role of human metabolite . It is a conjugate acid of 2-ethylhydracrylate .  It is also related to or classified as short-chain fatty acid  . It is also related to or classified as hydroxy fatty acid , branched-chain saturated fatty acid .


The molecule <smiles>CCc1cccc(OS(O)(=O)=O)c1</smiles> <smiles>CCc1cccc(OS(O)(=O)=O)c1</smiles> is an aryl sulfate that is ethylbenzene substituted by a sulfooxy group at position 3. It has the role of human xenobiotic metabolite . It is also related to or classified as benzenes , aryl sulfate .


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


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and icosanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1</smiles> <smiles>CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1</smiles> is A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. It has the role of human xenobiotic metabolite . Its functional parent is pioglitazone . It is also related to or classified as pyridines , aromatic ether , thiazolidinediones .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate  . It is also related to or classified as 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)  .


The molecule <smiles>CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1</smiles> <smiles>CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1</smiles> is A sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir. It has the role of prodrug . Its functional parent is sulfanilamide . It is also related to or classified as sulfonamide  .


The molecule <smiles>[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> <smiles>[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> is an organic sodium salt that has 17beta-estradiol 17-glucosiduronate as the anion. It is also related to or classified as organic sodium salt .


The molecule <smiles>[H+].[H+].COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> <smiles>[H+].[H+].COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> is an organic cation obtained by protonation of the imidazole groups of daclatasvir. It is a conjugate acid of daclatasvir . It is also related to or classified as organic cation .


The molecule <smiles>CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1</smiles> <smiles>CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1</smiles> is A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection. It has the role of antiviral drug . It has the role of HIV-1 integrase inhibitor . It is also related to or classified as secondary carboxamide  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as dicarboxylic acid amide , pyrimidone , hydroxypyrimidine , 1,2,4-oxadiazole .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCC</smiles> is A ceramide 1-phosphate in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid . It is a conjugate acid of N-hexanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> <smiles>CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively. It is also related to or classified as dichlorobenzene  . It is also related to or classified as aromatic ether , triazoles , dioxolane , N-alkylpiperazine , N-arylpiperazine , cyclic ketal .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCC</smiles> is A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as hexanoyl; major species at pH 7.3. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine  .


The molecule <smiles>COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> <smiles>COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> is A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. It has the role of antiviral drug . It has the role of nonstructural protein 5A inhibitor .     It is also related to or classified as carboxamide  . It is also related to or classified as biphenyls , carbamate ester , imidazoles , valine derivative .


The molecule <smiles>Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> <smiles>Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> is A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (S)-enantiomer of paliperidone. It is also related to or classified as 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one  .


The molecule <smiles>CC(C)CCCCCCOS([O-])(=O)=O</smiles> <smiles>CC(C)CCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45</smiles> <smiles>COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45</smiles> is an organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. It has the role of mu-opioid receptor antagonist . It has the role of cathartic . Its functional parent is naloxone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as phenols  .   It is also related to or classified as polyether  . It is also related to or classified as aromatic ether , organic heteropentacyclic compound .


The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have S and R configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine  .


The molecule <smiles>NC(CCC(=O)NC(Cc1ccccc1)C(O)=O)C(O)=O</smiles> <smiles>NC(CCC(=O)NC(Cc1ccccc1)C(O)=O)C(O)=O</smiles> is A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage. It has the role of human metabolite . Its functional parent is glutamic acid . Its functional parent is phenylalanine . It is also related to or classified as dipeptide  .


The molecule <smiles>CCC(CO)C([O-])=O</smiles> <smiles>CCC(CO)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid. It has the role of human metabolite . It is also related to or classified as hydroxy fatty acid anion .


The molecule <smiles>CC(C)CCCC\C=C/CCOS([O-])(=O)=O</smiles> <smiles>CC(C)CCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC(C)CCCC\C=C/CCOS(O)(=O)=O</smiles> <smiles>CC(C)CCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-9-methyldec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CC(C)CCCCCCOS(O)(=O)=O</smiles> <smiles>CC(C)CCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is 7-methyloctyl ester of sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of 7-methyloctyl sulfate . It is also related to or classified as alkyl sulfate .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(N)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(N)=O</smiles> is A fatty amide obtained from  linoleic acid. It has the role of human metabolite . Its functional parent is linoleic acid . It is also related to or classified as primary fatty amide  .


The molecule <smiles>CC\C=C/C\C=C/CCCOS(O)(=O)=O</smiles> <smiles>CC\C=C/C\C=C/CCCOS(O)(=O)=O</smiles> is A  sulfuric ester obtained by the formal condensation of (4Z,7Z)-deca-4,7-dien-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (4Z,7Z)-deca-4,7-dien-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CCCCCCCC\C=C/CCOS(O)(=O)=O</smiles> <smiles>CCCCCCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-dodec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CC\C=C/C\C=C/CCCOS([O-])(=O)=O</smiles> <smiles>CC\C=C/C\C=C/CCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCC\C=C/CCNS([O-])(=O)=O</smiles> <smiles>CCCCCC\C=C/CCNS([O-])(=O)=O</smiles> is an  organic sulfamate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCNS(O)(=O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CCCCCCCC\C=C/CCOS([O-])(=O)=O</smiles> <smiles>CCCCCCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-dodec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCC\C=C/CCNS(O)(=O)=O</smiles> <smiles>CCCCCC\C=C/CCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z)-dec-3-en-1-yl group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-dec-3-en-1-ylsulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CCCCCC\C=C\CCOS(O)(=O)=O</smiles> <smiles>CCCCCC\C=C\CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3E)-dec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CCCCCCCCCNS([O-])(=O)=O</smiles> <smiles>CCCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of nonylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CCCCCCCCCNS(O)(=O)=O</smiles> <smiles>CCCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a nonyl group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of nonylsulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CCCCCC\C=C\CCOS([O-])(=O)=O</smiles> <smiles>CCCCCC\C=C\CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3E)-dec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCCCCCCNS([O-])(=O)=O</smiles> <smiles>CCCCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of decylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CCCCCCCCCCNS(O)(=O)=O</smiles> <smiles>CCCCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a decyl group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of decylsulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CC(C)CCCCCCCNS(O)(=O)=O</smiles> <smiles>CC(C)CCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (8-methylnonyl) group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (8-methylnonyl)sulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CCCCC\C=C/C\C=C/CCNS([O-])(=O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CC(C)CCCCCCNS([O-])(=O)=O</smiles> <smiles>CC(C)CCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (7-methyloctyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>Cc1nc2[C@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> <smiles>Cc1nc2[C@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> is A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone. It is also related to or classified as 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one  .


The molecule <smiles>CC(C)CCCCCCNS(O)(=O)=O</smiles> <smiles>CC(C)CCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (7-methyloctyl)sulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Daphnia pulex metabolite . It is also related to or classified as beta-D-galactopyranosyl diglyceride  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>CC(C)CCCCCCCCNS(O)(=O)=O</smiles> <smiles>CC(C)CCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (9-methyldecyl) group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (9-methyldecyl)sulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CC(C)CCCCCCCNS([O-])(=O)=O</smiles> <smiles>CC(C)CCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CC[C@H](C)CCCCCO</smiles> <smiles>CC[C@H](C)CCCCCO</smiles> is an  alkyl alcohol that is 6-methyloctane carrying a hydroxy group at position 1 (the S-stereoisomer). It has the role of Daphnia pulex metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkyl alcohol .


The molecule <smiles>CC(C)CCCC(C)CO</smiles> <smiles>CC(C)CCCC(C)CO</smiles> is an alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1. It has the role of Daphnia pulex metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as alkyl alcohol .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having two (7Z,10Z)-hexadecadienoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Daphnia pulex metabolite . It is also related to or classified as beta-D-galactopyranosyl diglyceride  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>CC(C)CCCCCCCCNS([O-])(=O)=O</smiles> <smiles>CC(C)CCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (9-methyldecyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CC(C)CCCC(C)COS([O-])(=O)=O</smiles> <smiles>CC(C)CCCC(C)COS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z,13Z)-hexadecatrienoyl and (7Z,10Z)-hexadecadienoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Daphnia pulex metabolite . It is also related to or classified as beta-D-galactopyranosyl diglyceride  . It is also related to or classified as monosaccharide derivative .


The molecule <smiles>CC(C)CCC[C@@H](C)CCCOS([O-])(=O)=O</smiles> <smiles>CC(C)CCC[C@@H](C)CCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the  conjugate base of (4R)-4,8-dimethylnonyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC(C)CCC[C@H](C)COS(O)(=O)=O</smiles> <smiles>CC(C)CCC[C@H](C)COS(O)(=O)=O</smiles> is the (S)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate. It is a conjugate acid of (2S)-2,6-dimethylheptyl sulfate . It is also related to or classified as 2,6-dimethylheptyl hydrogen sulfate  .


The molecule <smiles>CCCCC\C=C\[C@@H](C)CCOS([O-])(=O)=O</smiles> <smiles>CCCCC\C=C\[C@@H](C)CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCCCCCNS([O-])(=O)=O</smiles> <smiles>CCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of octylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organic sulfamate oxoanion  .


The molecule <smiles>CC(C)CCC[C@@H](C)COS([O-])(=O)=O</smiles> <smiles>CC(C)CCC[C@@H](C)COS([O-])(=O)=O</smiles> is the (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is also related to or classified as 2,6-dimethylheptyl sulfate  .


The molecule <smiles>CCCCCC\C=C/CCOS(O)(=O)=O</smiles> <smiles>CCCCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z)-dec-3-en-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-dec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a 6-O-(alpha-D-galactopyranosyl)-beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Daphnia pulex metabolite . It is also related to or classified as galactoglycerolipid , disaccharide derivative .


The molecule <smiles>CCCCC\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCOS(O)(=O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z,6Z)-dodeca-3,6-dien-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z,6Z)-dodeca-3,6-dien-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CCCCCCCCCCOS([O-])(=O)=O</smiles> <smiles>CCCCCCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of decyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of marine metabolite . It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CCCCC\C=C\[C@@H](C)CCOS(O)(=O)=O</smiles> <smiles>CCCCC\C=C\[C@@H](C)CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3S,4E)-3-methyldec-4-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CC(C)CCC[C@H](C)COS([O-])(=O)=O</smiles> <smiles>CC(C)CCC[C@H](C)COS([O-])(=O)=O</smiles> is the (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is also related to or classified as 2,6-dimethylheptyl sulfate  .


The molecule <smiles>CCCCCCCCNS(O)(=O)=O</smiles> <smiles>CCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by an octyl group. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of octylsulfamate . It is also related to or classified as sulfamic acids .


The molecule <smiles>CC(C)CCC[C@@H](C)CCCOS(O)(=O)=O</smiles> <smiles>CC(C)CCC[C@@H](C)CCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (4R)-4,8-dimethylnonyl sulfate . It is also related to or classified as alkyl sulfate .


The molecule <smiles>CCCCCCCCOS(O)(=O)=O</smiles> <smiles>CCCCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of  octan-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . Its functional parent is octan-1-ol . It is a conjugate acid of n-octyl sulfate . It is also related to or classified as alkyl sulfate .


The molecule <smiles>CCCCCCCCCCOS(O)(=O)=O</smiles> <smiles>CCCCCCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of decanol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . Its functional parent is decan-1-ol . It is a conjugate acid of decyl sulfate . It is also related to or classified as alkyl sulfate .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CC[C@]34C)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1CC[C@@H]2O</smiles> is A steroid saponin that is 5alpha-androstane-3alpha,17beta-diol attached to a alpha-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has the role of Daphnia magna metabolite . Its functional parent is 5alpha-androstane-3alpha,17beta-diol . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as androstanoid , steroid saponin , monosaccharide derivative .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](C[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](C[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is A steroid saponin that is 6beta-hydroxytestosterone attached to a alpha-D-glucopyranosyl residue at position 6 via glycosidic linkage. It has the role of Daphnia magna metabolite . Its functional parent is 6beta-hydroxytestosterone . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as steroid saponin , monosaccharide derivative .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> is A polyunsaturated fatty acid that is hexadecanoic acid with unsaturation at positions 4, 7, 10 and 13. It is found in Daphnia galeata. It has the role of Daphnia galeata metabolite . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , straight-chain fatty acid .


The molecule <smiles>CCCCCC\C=C/CCOS([O-])(=O)=O</smiles> <smiles>CCCCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCOS(O)(=O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C(O)=O</smiles> is A  polyunsaturated fatty acid that is icosanoic acid having unsaturation at positions 2, 5, 8, 11, 14 and 17. It has been found in  Daphnia galeata. It has the role of Daphnia galeata metabolite . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , straight-chain fatty acid .


The molecule <smiles>CCCCCCC=CCCCC([O-])=O</smiles> <smiles>CCCCCCC=CCCCC([O-])=O</smiles> is A dodecenoate that is the conjugate base of 5-dodecenoic acid. It has the role of human metabolite . It is also related to or classified as dodecenoate .


The molecule <smiles>CC(C)CCC[C@@H](C)COS(O)(=O)=O</smiles> <smiles>CC(C)CCC[C@@H](C)COS(O)(=O)=O</smiles> is the (R)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate. It is a conjugate acid of (2R)-2,6-dimethylheptyl sulfate . It is also related to or classified as 2,6-dimethylheptyl hydrogen sulfate  .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@H]1O[C@H](CO)[C@@H](O)C(O)C1O</smiles> is A  steroid saponin that is the alpha-D-glucopyranosyl derivative of testosterone. It has been found in Daphnia magna. It has the role of Daphnia magna metabolite . Its functional parent is testosterone . It is also related to or classified as alpha-D-glucoside  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as steroid saponin , monosaccharide derivative .


The molecule <smiles>CCCCCCCCC=CCCCCCCCCC([O-])=O</smiles> <smiles>CCCCCCCCC=CCCCCCCCCC([O-])=O</smiles> is A monounsaturated fatty acid anion that is the conjugate base of 10-nonadecenoic acid. It has the role of human metabolite . It is also related to or classified as long-chain fatty acid anion  .  It is also related to or classified as monounsaturated fatty acid anion  . It is also related to or classified as straight-chain fatty acid anion .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](O)C[C@]34C)[C@@H]1CC[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)[C@H](O)C[C@]34C)[C@@H]1CC[C@@H]2O</smiles> is an androstanoid that is testosterone substituted by a alpha-hydroxy group at position 2. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has the role of androgen . It has the role of Daphnia magna metabolite . Its functional parent is testosterone . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 2alpha-hydroxy steroid , androstanoid .


The molecule <smiles>CCCCCCC=CCCCC(O)=O</smiles> <smiles>CCCCCCC=CCCCC(O)=O</smiles> is A dodecenoic acid having its double bond in the 5-position. It has the role of human metabolite . It is a conjugate acid of 5-dodecenoate . It is also related to or classified as dodecenoic acid .


The molecule <smiles>CCCCCCCCOS([O-])(=O)=O</smiles> <smiles>CCCCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of octyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of marine metabolite . It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .


The molecule <smiles>CC(C)Oc1ccc(C(=O)C(C)(C)NC(=O)c2sccc2C)c(C)c1</smiles> <smiles>CC(C)Oc1ccc(C(=O)C(C)(C)NC(=O)c2sccc2C)c(C)c1</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as thiophenes , aromatic ether , amide fungicide , aromatic amide , aromatic ketone .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O</smiles> is an androstanoid that is  testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin. It has the role of androgen . It has the role of Daphnia magna metabolite . Its functional parent is testosterone . It is also related to or classified as 16beta-hydroxy steroid  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid .


The molecule <smiles>CCCCCCCCC=CCCCCCCCCC(O)=O</smiles> <smiles>CCCCCCCCC=CCCCCCCCCC(O)=O</smiles> is A monounsaturated fatty acid that is nonadecanoic acid with a double bond at position 10. It has the role of human metabolite . It is a conjugate acid of 10-nonadecenoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as monounsaturated fatty acid , straight-chain fatty acid .


The molecule <smiles>CCCCCCCCCCCC=CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCC=CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-tetradecenoylcarnitine  having 2-tetradecenoyl as the acyl substituent. It has the role of human metabolite . It is also related to or classified as O-tetradecenoylcarnitine  .


The molecule <smiles>FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1</smiles> <smiles>FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1</smiles> is A member of the class of benzamides, obtained by formal condensation of the carboxy group of 2-(trifluoromethyl)benzoic acid with the amino group of 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethylamine. A fungicide used for foiliar application and as a seed treatment in order to control botrystis, powdery mildew and other diseases. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor . It has the role of antifungal agrochemical .   It is also related to or classified as organochlorine compound  . It is also related to or classified as benzamides , pyridines , (trifluoromethyl)benzenes , benzamide fungicide .


The molecule <smiles>O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> <smiles>O(C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> is A lysophosphatidylcholine 20:2 in which the acyl group is specified as (11Z,14Z)-icosadienoyl and is located at position 1. Its functional parent is (11Z,14Z)-icosadienoic acid . It is also related to or classified as lysophosphatidylcholine 20:2  .


The molecule <smiles>CCCCC\C=C/C=C\CCCCCCCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C=C\CCCCCCCCC([O-])=O</smiles> is an octadecadienoate that is the conjugate base of dihomolinoleic acid. It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as octadecadienoate  .


The molecule <smiles>CCCCC\C=C/C=C\CCCCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/C=C\CCCCCCCCC(O)=O</smiles> is A octadecadienoic acid with unsaturation at positions 10 and 12 (the 10Z,12Z-stereoisomer). It has the role of plant metabolite . It has the role of human metabolite . It is a conjugate acid of dihomolinoleate . It is also related to or classified as octadecadienoic acid .


The molecule <smiles>NC(=O)CC[C@@H]1NCC2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> <smiles>NC(=O)CC[C@@H]1NCC2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens. It has the role of plant metabolite . Its functional parent is L-glutamine . Its functional parent is D-fructopyranose . It is also related to or classified as delta-lactone  .  It is also related to or classified as carboxamide  . It is also related to or classified as triol , secondary amino compound , spiroketal , amino acid opine .


The molecule <smiles>NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> <smiles>NC(=O)CC[C@@H]1NC[C@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A chrysopine formally derived from beta-D-fructopyranose. It is also related to or classified as chrysopine  .


The molecule <smiles>NC(=O)CC[C@@H]1NC[C@@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> <smiles>NC(=O)CC[C@@H]1NC[C@@]2(OC[C@@H](O)[C@@H](O)[C@@H]2O)OC1=O</smiles> is A chrysopine formally derived from alpha-D-fructopyranose. It is also related to or classified as chrysopine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCC(O)=O</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCC(O)=O</smiles> is the (Z)-stereoisomer of  10-nonadecenoic acid. It is also related to or classified as 10-nonadecenoic acid  .


The molecule <smiles>CC(=O)S[C@@H](CCS)CCCCC(N)=O</smiles> <smiles>CC(=O)S[C@@H](CCS)CCCCC(N)=O</smiles> is the (R)-enantiomer of S(6)-acetyldihydrolipoamide. Its functional parent is (R)-dihydrolipoamide . It is also related to or classified as S(6)-acetyldihydrolipoamide  .


The molecule <smiles>CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> <smiles>CC[C@@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O</smiles> is A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus. It is also related to or classified as polymyxin .


The molecule <smiles>Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2cccc3C4CCC(C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-amine.   It is also related to or classified as organochlorine compound  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , bridged compound , aromatic amide , olefinic compound .


The molecule <smiles>Nc1cccc2[C@H]3CC[C@H](C3=C(Cl)Cl)c12</smiles> <smiles>Nc1cccc2[C@H]3CC[C@H](C3=C(Cl)Cl)c12</smiles> is an N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide that is the (1R,4S)-enantiomer of benzovindiflupyr. It is also related to or classified as N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> is A lipoyl-AMP in which the lipoyl moiety has (R)-configuration. Its functional parent is (R)-lipoic acid . It is a conjugate acid of (R)-lipoyl-AMP(1-) . It is also related to or classified as lipoyl-AMP  .


The molecule <smiles>Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2cccc3[C@@H]4CC[C@@H](C4=C(Cl)Cl)c23)c(n1)C(F)F</smiles> is an N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide that is the (1S,4R)-enantiomer of benzovindiflupyr. It is also related to or classified as N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O</smiles> is A lipoyl-AMP(1-) obtained by deprotonation of the phosphate OH group of (R)-lipoyl-AMP; major species at pH 7.3. It is also related to or classified as lipoyl-AMP(1-)  .


The molecule <smiles>C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])NC(C)=O.[Fe+3]</smiles> <smiles>C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])NC(C)=O.[Fe+3]</smiles> is an iron(III) hydroxamate isolated from fungi and bacteria including Penicillium species and Neurospora crassa. It is a growth factor for coprophilous fungi. It has the role of Penicillium metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as Fe(III)-complexed hydroxamate siderophore .


The molecule <smiles>NC(=O)CCCC[C@@H]1CCSS1</smiles> <smiles>NC(=O)CCCC[C@@H]1CCSS1</smiles> is A lipoamide obtained by condensation of the carboxy group of (R)-lipoic acid with ammonia. Its functional parent is (R)-lipoic acid . It is also related to or classified as lipoamide  .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4',5'-trifluorobiphenyl-2-amine. Used to control a number of cereal fungal pathogens including those belonging to the Ascomycetes, Basidiomycetes and Zygomycetes families. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as biphenyls , pyrazoles , aromatic amide , trifluorobenzene , anilide fungicide .


The molecule <smiles>CC(=O)N[C@@H](CCCN([O-])C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N([O-])CCC[C@@H]1NC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC1=O</smiles> <smiles>CC(=O)N[C@@H](CCCN([O-])C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N([O-])CCC[C@@H]1NC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC1=O</smiles> is A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen. It has the role of siderophore . It is also related to or classified as hydroxamic acid anion .


The molecule <smiles>CC(=O)N[C@@H](CCCN(O)C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)\C=C(/C)CCO)NC1=O</smiles> <smiles>CC(=O)N[C@@H](CCCN(O)C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)\C=C(/C)CCO)NC1=O</smiles> is A member of the class of 2,5-diketopiperazines that is 2,5-diketopiperazine which is substituted at positions 3 and 6 by 3-(hydroxyamino)propyl groups in which the nitrogens have been acylated by (2E)-5-hydroxy-3-methylpent-2-enoyl groups. The substituent at position 3 has been further modified by having its terminal hydroxy group esterified by condensation with the carboxy group of N(2)-acetyl-N(5)-hydroxy-L-ornithine in which the N(5) nitrogen has been acylated by a (2E)-5-hydroxy-3-methylpent-2-enoyl group. It has the role of siderophore . It is a conjugate acid of desferricoprogen(3-) . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as primary alcohol  .   It is also related to or classified as carboxylic ester  . It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as acetamides , hydroxamic acid .


The molecule <smiles>CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> <smiles>CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the anti-(1S,4R,9R)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>CC(C)CCCC(C)COS(O)(=O)=O</smiles> <smiles>CC(C)CCCC(C)COS(O)(=O)=O</smiles> is an alkyl sulfate that is the sulfuric ester of  2,6-dimethylheptan-1-ol. It has the role of kairomone . It has the role of Daphnia pulex metabolite . Its functional parent is 2,6-dimethylheptan-1-ol . It is a conjugate acid of 2,6-dimethylheptyl sulfate . It is also related to or classified as alkyl sulfate .


The molecule <smiles>C([C@H]1NC(CC1)=O)(=O)NCC(O)=O</smiles> <smiles>C([C@H]1NC(CC1)=O)(=O)NCC(O)=O</smiles> is A dipeptide composed of  glycine  and  5-oxo-L-proline joined by a peptide linkage. Its functional parent is glycine . Its functional parent is 5-oxo-L-proline . It is also related to or classified as dipeptide  .


The molecule <smiles>Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 3',4'-dichloro-5-fluorobiphenyl-2-amine. A fungicide for use in cereals for key stem and leaf disease control including strobilurin-resistant septoria. It has the role of EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor . It has the role of antifungal agrochemical .  It is also related to or classified as dichlorobenzene  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as biphenyls , pyrazoles , aromatic amide , anilide fungicide .


The molecule <smiles>CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12</smiles> <smiles>CC1OC(C)(C)c2cccc(NC(=O)c3c(C)nn(C)c3Cl)c12</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 5-chloro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 1,1,3-trimethyl-1,3-dihydro-2-benzofuran-4-amine.  It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrazoles , 1-benzofurans , aromatic amide .


The molecule <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C</smiles> is A member of the class of dafachronic acids that is (25S)-5alpha-cholestan-26-oic acid which is substituted at position 3 by an oxo group and which contains double bonds at the 1-2 and 7-8 positions. Found in Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as 3-oxo Delta(7)-steroid , dafachronic acids .


The molecule <smiles>CC(C)CC(C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> <smiles>CC(C)CC(C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)aniline.  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , aromatic amide .


The molecule <smiles>CC(C)[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> <smiles>CC(C)[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the syn-(1R,4S,9R)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> <smiles>C[C@H](CCC[C@H](C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroid acid that is 5alpha-cholest-7-en-26-oic acid that has S configuration at position 25 and is substituted by a hydroxy group at the 3alpha position. It is an endogenous ligand for DAF-12 in Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as monocarboxylic acid , steroid acid , cholestanoid .


The molecule <smiles>CC(C)[C@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> <smiles>CC(C)[C@H]1[C@@H]2CC[C@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the syn-(1S,4R,9S)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> <smiles>CC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (S)-enantiomer of penflufen. It is also related to or classified as 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide  .


The molecule <smiles>CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F</smiles> <smiles>CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid with the amino group of 2-(4-methylpentan-2-yl)thiophen-3-amine.   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , thiophenes , aromatic amide .


The molecule <smiles>CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C</smiles> <smiles>CC[C@H](C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C</smiles> is A synthetic cyclodepsipeptide derived from a marine metabolite that exhibits antineoplastic properties. It has the role of antineoplastic agent . It is also related to or classified as cyclodepsipeptide  .


The molecule <smiles>CC(C)[C@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> <smiles>CC(C)[C@H]1[C@H]2CC[C@@H]1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is A 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the anti-(1R,4S,9S)-diastereomer of isopyrazam. It is also related to or classified as 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide  .


The molecule <smiles>OP(O)(=O)O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(=O)OP(O)(O)=O</smiles> <smiles>OP(O)(=O)O[C@H]1[C@@H](OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(=O)OP(O)(O)=O</smiles> is A 1D-myo-inositol bis(diphosphate) tetrakisphosphate having the two diphospho groups located at positions 1 and 4. It is also related to or classified as 1D-myo-inositol bis(diphosphate) tetrakisphosphate .


The molecule <smiles>Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1</smiles> <smiles>Cc1ccc(cc1)C(=C/CN1CCCC1)\c1cccc(\C=C\C(O)=O)n1</smiles> is A member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis. It has the role of H1-receptor antagonist . It is also related to or classified as pyridines , N-alkylpyrrolidine , olefinic compound , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CC(C)C1C2CCC1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> <smiles>CC(C)C1C2CCC1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-amine.   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , bridged compound , aromatic amide .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@@H]2C2CC2)c(n1)C(F)F</smiles> is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1R,2R)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2C2CC2C2CC2)c(n1)C(F)F</smiles> is an aromatic amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of 2-[1,1'-bi(cyclopropyl)-2-yl]aniline.   It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , ring assembly , cyclopropanes , aromatic amide .


The molecule <smiles>Cc1c(C)c2ccc[n+]3c2c2[n+](cccc12)[Pt--]31[NH2+][C@H]2CCCC[C@@H]2[NH2+]1</smiles> <smiles>Cc1c(C)c2ccc[n+]3c2c2[n+](cccc12)[Pt--]31[NH2+][C@H]2CCCC[C@@H]2[NH2+]1</smiles> is A platinum coordination entity consisting of 5,6-dimethyl-1,10-phenanthroline and 1S,2S-diaminocyclohexane moieties bound via their nitrogen atoms to a central platinum atom. It has the role of antineoplastic agent . It is also related to or classified as organic cation , platinum coordination entity .


The molecule <smiles>CC(C)C[C@@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> <smiles>CC(C)C[C@@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F</smiles> is 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide that is the (R)-enantiomer of penflufen. It is also related to or classified as 5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide  .


The molecule <smiles>CCCCc1c(C)c2ccc(OCc3ccccc3\C(=C/OC)C(=O)OC)cc2oc1=O</smiles> <smiles>CCCCc1c(C)c2ccc(OCc3ccccc3\C(=C/OC)C(=O)OC)cc2oc1=O</smiles> is A member of the class of coumarins that is the methyl ester of (2E)-2-(2-{[(3-butyl-4-methyl-2-oxochromen-7-yl)oxy]methyl}phenyl)-3-methoxyprop-2-enoic acid. A fungicide active against various fungal infections including downy mildew, blight, powdery mildew and rice blast. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .   It is also related to or classified as enol ether  .  It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as coumarins , aromatic ether , methoxyacrylate strobilurin antifungal agent .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@H]2C2CC2)c(n1)C(F)F</smiles> is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the cis-(1S,2S)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2[C@@H]2C[C@H]2C2CC2)c(n1)C(F)F</smiles> is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the trans-(1S,2R)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .


The molecule <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O</smiles> is A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta1. It is also related to or classified as hydroxamic acid anion .


The molecule <smiles>CO\C=C(\C(=O)OC)c1ccccc1CO\N=C(/C)\C=C\c1ccc(Cl)cc1</smiles> <smiles>CO\C=C(\C(=O)OC)c1ccccc1CO\N=C(/C)\C=C\c1ccc(Cl)cc1</smiles> is an enoate ester that is the methyl ester of (2E)-2-{2-[({(E)-[(3E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-3-methoxyprop-2-enoic acid. A fungicide used for control of leaf blotch, leaf rust and powdery mildew on wheat and other fungal diseases on cucumbers, tomatoes and grapes. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as oxime O-ether  . It is also related to or classified as enol ether  .   It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as monochlorobenzenes , methoxyacrylate strobilurin antifungal agent .


The molecule <smiles>CCSCC[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> <smiles>CCSCC[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-ethionine residues. It has the role of poison . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O</smiles> is A member of the class of desferrialbomycins that is desferrialbomycin delta1 in which the oxo group at position 4 of the pyrimidone moiety is replaced by an imino group. The iron(III) complex of desferrialbomycin epsilon is the antibiotic albomycin epsilon. It is a conjugate acid of desferrialbomycin epsilon(3-) . It is also related to or classified as desferrialbomycins  .


The molecule <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1cccc(n1)C(F)(F)F</smiles> <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1cccc(n1)C(F)(F)F</smiles> is an enoate ester that is the methyl ester of (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoic acid.  A cereal fungicide used to control a wide range of diseases including brown rust, tan spot, powdery mildew and net blotch. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .   It is also related to or classified as organofluorine compound  . It is also related to or classified as enol ether  .  It is also related to or classified as enoate ester  . It is also related to or classified as pyridines , aromatic ether , methoxyacrylate strobilurin antifungal agent .


The molecule <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1ccc(cc1Cl)C(F)(F)F</smiles> <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1ccc(cc1Cl)C(F)(F)F</smiles> is an enoate ester that is the methyl ester of (2E)-2-(2-{[2-chloro-4-(trifluoromethyl)phenoxy]methyl}phenyl)-3-methoxyprop-2-enoic acid. A fungicide active against various fungal infections including downy mildew, blight, powdery mildew and rice blast. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .  It is also related to or classified as enol ether  .    It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as aromatic ether , monochlorobenzenes , (trifluoromethyl)benzenes , methoxyacrylate strobilurin antifungal agent .


The molecule <smiles>CCCCCCCCCCCCCCCCOP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCCCCCCCOP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is an adenosine 5'-phosphate that is the monohexadecyl ester of AMP. It has the role of fungicide . It has the role of EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor . It is also related to or classified as purine ribonucleoside 5'-monophosphate , adenosine 5'-phosphate .


The molecule <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O</smiles> is A member of the class of desferrialbomycins in which the pyrimidone moiety is substituted by an oxo group at position 4.  The iron(III) complex of desferrialbomycin delta1 is the antibiotic albomycin delta1. It is a conjugate acid of desferrialbomycin delta1(3-) . It is also related to or classified as desferrialbomycins  .


The molecule <smiles>CNC(=O)[C@@H](OC)c1ccccc1COc1cc(C)ccc1C</smiles> <smiles>CNC(=O)[C@@H](OC)c1ccccc1COc1cc(C)ccc1C</smiles> is A 2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide that is the (S)-enantiomer of mandestrobin. It is also related to or classified as 2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide  .


The molecule <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O</smiles> is A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin epsilon. It is also related to or classified as hydroxamic acid anion .


The molecule <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=NC(N)=O)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N(O)CCC[C@H](N)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=NC(N)=O)n(C)c1=O)C(O)=O</smiles> is A member of the class of desferrialbomycins that is desferrialbomycin epsilon in which the hydrogen attached to the nitrogen at position 4 of the pyrimidone moiety is replaced by a carbamoyl group.  The iron(III) complex of desferrialbomycin delta1 is the antibiotic albomycin delta2. It is a conjugate acid of desferrialbomycin delta2(3-) .  It is also related to or classified as desferrialbomycins  . It is also related to or classified as ureas .


The molecule <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=O)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> is an iron(III) hydroxamate in which desferrialbomycin delta1(3-) is complexed to iron(III). It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as Fe(III)-complexed hydroxamate siderophore .


The molecule <smiles>CNC(=O)C(OC)c1ccccc1COc1cc(C)ccc1C</smiles> <smiles>CNC(=O)C(OC)c1ccccc1COc1cc(C)ccc1C</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of {2-[(2,5-dimethylphenoxy)methyl]phenyl}(methoxy)acetic acid with the amino group of methylamine. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic ether .


The molecule <smiles>Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@@H]2C2CC2)c(n1)C(F)F</smiles> <smiles>Cn1cc(C(=O)Nc2ccccc2[C@H]2C[C@@H]2C2CC2)c(n1)C(F)F</smiles> is an N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide that is the trans-(1R,2S)-diastereomer of sedaxane. It is also related to or classified as N-{2-[1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1pyrazole-4-carboxamide  .


The molecule <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccc(Cl)cc1</smiles> <smiles>CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccc(Cl)cc1</smiles> is an enoate ester that is the methyl ester of (2E)-2-[2-({[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]oxy}methyl)phenyl]-3-methoxyprop-2-enoic acid. A broad spectrum fungicide used to control a variety of diseases on rice, vegetables and teas. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .   It is also related to or classified as enol ether  .   It is also related to or classified as methyl ester  . It is also related to or classified as enoate ester  . It is also related to or classified as pyrazoles , aromatic ether , monochlorobenzenes , methoxyacrylate strobilurin antifungal agent .


The molecule <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=N)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> is an iron(III) hydroxamate in which desferrialbomycin epsilon(3-) is complexed to iron(III). It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as iron(III) hydroxamate  .


The molecule <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1cc\c(=N/C(N)=O)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> <smiles>CC(=O)N1CCC[C@H](N)C(=O)N[C@H]2CCCN(O[Fe](O1)ON(CCC[C@H](NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1cc\c(=N/C(N)=O)n(C)c1=O)C(O)=O)C(C)=O)C(C)=O</smiles> is an iron(III) hydroxamate in which desferrialbomycin delta2(3-) is complexed to iron(III). It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as iron(III) hydroxamate  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> is A primary ammonium ion resulting from the protonation of the amino group of beta-D-galactosyl-(1<->1')-sphinganine; major species at pH 7.3. It is a conjugate acid of beta-D-galactosyl-(1<->1')-sphinganine . It is also related to or classified as primary ammonium ion  .


The molecule <smiles>CON(C(=O)OC)c1ccccc1COc1nc(Cl)c(Cl)cc1Cl</smiles> <smiles>CON(C(=O)OC)c1ccccc1COc1nc(Cl)c(Cl)cc1Cl</smiles> is A carbamate ester that is the methyl ester of methoxy(2-{[(3,5,6-trichloropyridin-2-yl)oxy]methyl}phenyl)carbamic acid. A methoxycarbanilate fungicide used on rice and other crops. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as aromatic ether , chloropyridine , methoxycarbanilate strobilurin antifungal agent , carbanilate fungicide , carbamate ester .


The molecule <smiles>CON(C(=O)OC)c1ccccc1COc1c(C)c(nn1C)-c1ccccc1</smiles> <smiles>CON(C(=O)OC)c1ccccc1COc1c(C)c(nn1C)-c1ccccc1</smiles> is A carbamate ester that is the methyl ester of  (2-{[(1,4-dimethyl-3-phenyl-1H-pyrazol-5-yl)oxy]methyl}phenyl)methoxycarbamic acid. A fungicide that is active against powdery mildew and other diseases. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as pyrazoles , aromatic ether , methoxycarbanilate strobilurin antifungal agent , carbanilate fungicide , carbamate ester .


The molecule <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=NC(N)=O)n(C)c1=O)C(O)=O</smiles> <smiles>CC(=O)N([O-])CCC[C@H](N)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CCCN([O-])C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](O)[C@H]1S[C@H]([C@H](O)[C@H]1O)n1ccc(=NC(N)=O)n(C)c1=O)C(O)=O</smiles> is A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta2. It is also related to or classified as hydroxamic acid anion .


The molecule <smiles>CNC(=O)[C@H](OC)c1ccccc1COc1cc(C)ccc1C</smiles> <smiles>CNC(=O)[C@H](OC)c1ccccc1COc1cc(C)ccc1C</smiles> is A 2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide that is the (R)-enantiomer of mandestrobin. It is also related to or classified as 2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-methoxy-N-methylacetamide  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCC</smiles> is A galactosylceramide that is beta-D-galactosylsphinganine in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid . It is also related to or classified as galactosylceramide  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCC</smiles> is A N-(2-hydroxyacyl)-beta-D-galactosylsphinganine in which the ceramide N-acyl group is specified as 2-hydroxyhexanoyl. It is also related to or classified as N-(2-hydroxyacyl)-beta-D-galactosylsphinganine  .


The molecule <smiles>CNC(=O)C(=N\OC)\c1ccccc1CO\N=C(/C)\C=C\c1c(Cl)cccc1Cl</smiles> <smiles>CNC(=O)C(=N\OC)\c1ccccc1CO\N=C(/C)\C=C\c1c(Cl)cccc1Cl</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-{2-[({(E)-[(3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methylamine. A broad-spectrum fungicide. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as dichlorobenzene  .    It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as oxime O-ether  . It is also related to or classified as amide fungicide , olefinic compound , methoxyiminoacetamide strobilurin antifungal agent .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is specified as hexadecanoyl. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  . It is also related to or classified as HexCer(d18:1/16:0)  .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)C(O)CCCC</smiles> is an N-(2-hydroxyacyl)sphinganine in which the ceramide N-acyl group is specified as 2-hydroxyhexanoyl. It is also related to or classified as N-(2-hydroxyacyl)sphinganine  .


The molecule <smiles>CO\N=C(\C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F</smiles> <smiles>CO\N=C(\C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F</smiles> is an oxime O-ether that is the O-methyl oxime of (2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methanone. A fungicide used for disease control of potatoes and a wide range of vegetables. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .  It is also related to or classified as oxime O-ether  . It is also related to or classified as organofluorine compound  . It is also related to or classified as aromatic ether , pyrimidines , dioxazine , monochlorobenzenes , strobilurin antifungal agent .


The molecule <smiles>COC(=O)NCc1cc(ccc1Cl)C(\C)=N\OCc1cccc(C)n1</smiles> <smiles>COC(=O)NCc1cc(ccc1Cl)C(\C)=N\OCc1cccc(C)n1</smiles> is A carbamate ester that is the methyl ester of (2-chloro-5-{(1E)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamic acid. A fungicide having excellent activity against a wide range of plant pathogenic fungi, especially gray mould diseases caused by Botrytis cinerea. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as methyl (2-chloro-5-{N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamate  . It is also related to or classified as carbamate fungicide .


The molecule <smiles>CNC(=O)C(=N\OC)\c1ccccc1COc1cc(C)ccc1C</smiles> <smiles>CNC(=O)C(=N\OC)\c1ccccc1COc1cc(C)ccc1C</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-{2-[(2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)acetic acid with the amino group of methylamine. A fungicide used for disease control in cereals, vegetables and turf. It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical .    It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as oxime O-ether  . It is also related to or classified as aromatic ether , amide fungicide , methoxyiminoacetamide strobilurin antifungal agent .


The molecule <smiles>CCC(C)CCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO</smiles> <smiles>CCC(C)CCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO</smiles> is A cationic sphingoid obtained by the protonation of the amino group of 14-methylhexadecasphingosine; major species at pH 7.3. It is a conjugate acid of 14-methylhexadecasphingosine . It is also related to or classified as sphingoid base(1+)  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCC</smiles> is A N-(2-hydroxyacyl)-beta-D-galactosylsphingosine in which the ceramide N-acyl group is specified as 2-hydroxyhexanoyl. It is also related to or classified as N-(2-hydroxyacyl)-beta-D-galactosylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)C(O)CCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)C(O)CCCC</smiles> is A 2-N-(2-hydroxyacyl)sphingosine in which the ceramide N-acyl group is specified as 2-hydroxyhexanoyl. It is also related to or classified as 2-(2-hydroxyacyl)sphingosine  .


The molecule <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NO[C@@H](C1)c1c(F)cccc1F)C(F)(F)F</smiles> <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NO[C@@H](C1)c1c(F)cccc1F)C(F)(F)F</smiles> is A 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone that has S configuration at position 5 of the 4,5-dihydro-1,2-oxazole ring. It is also related to or classified as 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone  .


The molecule <smiles>CSC1=N[C@](C)(C(=O)N1Nc1ccccc1)c1ccccc1</smiles> <smiles>CSC1=N[C@](C)(C(=O)N1Nc1ccccc1)c1ccccc1</smiles> is A member of the class of imidazolones that is 3,5-dihydroimidazol-4-one substituted at position 2 by a methylthiogroup, at position 3 by an anilino group and at position 5 by phenyl and methyl groups (the S-enantiomer). A fungicide effective against Oomycete diseases such as downy mildew and certain leaf spot diseases. It has the role of quinone outside inhibitor . It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as organic sulfide  .  It is also related to or classified as carbohydrazide  . It is also related to or classified as imidazolone , imidazole fungicide .


The molecule <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1c(F)cccc1F)C(F)(F)F</smiles> <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1c(F)cccc1F)C(F)(F)F</smiles> is an N-acylpiperidine that is N-acetyl 4-(1,3-thiazol-2-yl)piperidine in which the thiazole ring is substituted at position 4 by a 5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl group and in which one of the hydrogens of the acetyl group is replaced by a 5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl group. It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles , 1,3-thiazoles , N-acylpiperidine , isoxazoline .


The molecule <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NO[C@H](C1)c1c(F)cccc1F)C(F)(F)F</smiles> <smiles>Cc1cc(nn1CC(=O)N1CCC(CC1)c1nc(cs1)C1=NO[C@H](C1)c1c(F)cccc1F)C(F)(F)F</smiles> is A 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone that has R configuration at position 5 of the 4,5-dihydro-1,2-oxazole ring. It is also related to or classified as 1-(4-{4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone  .


The molecule <smiles>CC(=O)Oc1c(C)c(C)nc2c(F)cc(cc12)C(C)(C)C</smiles> <smiles>CC(=O)Oc1c(C)c(C)nc2c(F)cc(cc12)C(C)(C)C</smiles> is A member of the class of quinolines that is quinoline which is substituted at positions 2 and 3 by methyl groups and at positions 4, 6, and 8 by acetoxy, tert-butyl, and fluorine, respectively. A fungicide developed mainly for the control of rice blast (Magnaporthe grisea), it has also been found to be effective against fungal diseases in soya beans and tomatoes. It has the role of antifungal agrochemical .  It is also related to or classified as organofluorine compound  . It is also related to or classified as acetate ester  . It is also related to or classified as quinolines .


The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A glycophytoceramide that consists of phytosphingosine having an alpha-D-galactosyl attached at the O-1 position via a glycosidic linkage and a (Z)-tetracos-15-enoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O</smiles> is A glycosylsphingoid in which a beta-D-galactosyl residue is attached to the primary hydroxyl group of sphinganine. It is also related to or classified as glycosylsphingoid .


The molecule <smiles>COc1ccccc1N1CCS\C1=C(/Sc1cc(ccc1F)C(F)(F)F)C#N</smiles> <smiles>COc1ccccc1N1CCS\C1=C(/Sc1cc(ccc1F)C(F)(F)F)C#N</smiles> is A member of the class of thiazolidines that is N-(o-methoxyphenyl)thiazolidine which is substituted at position 2 by a methylene group, the hydrogens of which are replaced by cyano and [2-fluoro-5-(trifluoromethyl)phenyl]sulfanediyl groups; the double bond conjugated to the cyano group has Z configuration. A fungicide intended for use on horticultural crops including strawberries and grapevines. It has the role of antifungal agrochemical . It is also related to or classified as nitrile  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aromatic ether , thiazolidines , aryl sulfide , (trifluoromethyl)benzenes .


The molecule <smiles>CCCCCCCCCC(=O)OCC(COP([O-])([O-])=O)OC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCC(=O)OCC(COP([O-])([O-])=O)OC(=O)CCCCCCCCC</smiles> is A phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of didecanoylphosphatidic acid; major species at pH 7.3. It is also related to or classified as phosphatidate(2-)  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C([O-])=O</smiles> is A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of (2E,6E)-farnesoic acid; major species at pH 7.3. It is also related to or classified as methyl-branched fatty acid anion , polyunsaturated fatty acid anion .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C(O)=O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C(O)=O</smiles> is A farnesoic acid in which the double bonds at positions 2 and 6 both have E-configuration. It has the role of animal metabolite . It is a conjugate acid of (2E,6E)-farnesoate . It is also related to or classified as farnesoic acid  .


The molecule <smiles>CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O</smiles> <smiles>CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O</smiles> is A macrolide that is the major component of a mixture of four isomeric polyene macrolides isolated from Streptomyces filipinensis. It has the role of fluorescent probe . It has the role of bacterial metabolite . It is also related to or classified as macrolide  . It is also related to or classified as polyol , olefinic compound .


The molecule <smiles>C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1</smiles> <smiles>C[C@@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1</smiles> is A 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate that has R configuration. It is also related to or classified as 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate  .


The molecule <smiles>C[C@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1</smiles> <smiles>C[C@H]1CCCCN1CCCOC(=O)c1ccc(Cl)c(Cl)c1</smiles> is A 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate that has S configuration. It is also related to or classified as 3-(2-methylpiperidin-1-yl)propyl 3,4-dichlorobenzoate  .


The molecule <smiles>CCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCC(=O)OCC(COP(O)(O)=O)OC(=O)CCCCCCCCC</smiles> is A phosphatidic acid in which both of the phosphatidyl acyl groups are specified as decanoyl. It is a conjugate acid of didecanoylphosphatidate(2-) . It is also related to or classified as phosphatidic acid  . It is also related to or classified as decanoate ester  .


The molecule <smiles>CCCCNC(=O)OCC#CI</smiles> <smiles>CCCCNC(=O)OCC#CI</smiles> is A carbamate ester that is carbamic acid in which the nitrogen has been substituted by a butyl group and in which the hydrogen of the carboxy group is replaced by a 1-iodoprop-2-yn-3-yl group. A fungicide, it is used as a preservative and sapstain control chemical in wood products and as a preservative in adhesives, paints, latex paper coating, plastic, water-based inks, metal working fluids, textiles, and numerous consumer products. It has the role of xenobiotic . It has the role of environmental contaminant . It has the role of antifungal agrochemical . It is also related to or classified as organoiodine compound  . It is also related to or classified as acetylenic compound  . It is also related to or classified as carbamate fungicide , carbamate ester .