The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively. It is a conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>O[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1</smiles> <smiles>O[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1</smiles> is an organophosphate oxoanion obtained by deprotonation of all four triphosphate OH groups of 2-deoxyribose 5-triphosphate. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is an organic cation obtained by protonation of the primary amino groups of kanamycin D. It is a conjugate acid of kanamycin D . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin X. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin X . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+]</smiles> <smiles>[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+]</smiles> is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin C. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin C . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1</smiles> <smiles>Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O</smiles> <smiles>[NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O</smiles> is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin B. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin B . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as N-stearoyl-sphingoid base  . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCC</smiles> is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as decanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>[H][C@@]12CCCN1C(=O)[C@H](Cc1c([nH]c3ccccc13)C(C)(C)C=C)NC2=O</smiles> <smiles>[H][C@@]12CCCN1C(=O)[C@H](Cc1c([nH]c3ccccc13)C(C)(C)C=C)NC2=O</smiles> is A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a 1,1-dimethylallyl group. Its functional parent is brevianamide F .   It is also related to or classified as dipeptide  . It is also related to or classified as indoles , indole alkaloid , pyrrolopyrazine .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as hexadecanoyl (palmitoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as tetracosanoyl. It has the role of mouse metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acylsphingosine  . It is also related to or classified as Cer(d42:1)  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as dodecanoyl (lauroyl). Its functional parent is dodecanoic acid . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O</smiles> <smiles>CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O</smiles> is A member of the class of 1,4-benzoquinones in which the quinone ring is substituted at positions 2 and 3 by methyl groups and at position 5 by a decyl group. It has the role of cofactor . It is also related to or classified as 1,4-benzoquinones  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as tetradecanoyl (myristoyl). Its functional parent is tetradecanoic acid . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as eicosanoyl. It has the role of mouse metabolite . Its functional parent is icosanoic acid . It is also related to or classified as Cer(d38:1)  . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as decanoyl. Its functional parent is decanoic acid . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as hexacosanoyl. It has the role of mouse metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine in which the ceramide N-acyl group is specified as docosanoyl. It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as Cer(d40:1)  . It is also related to or classified as N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCCCC</smiles> is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as tetradecanoyl (myristoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as octadecanoyl (stearoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>[O-]C(=O)CCc1c[nH]cn1</smiles> <smiles>[O-]C(=O)CCc1c[nH]cn1</smiles> is an imidazolyl carboxylic acid anion that is the conjugate base of dihydrourocanic acid, obtained by deprotonation of the carboxy group. Its functional parent is propionate . It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O</smiles> <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O</smiles> is A tetrapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine and D-proline residues coupled in sequence. It is also related to or classified as tetrapeptide  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as docosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as tetracosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as hexacosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as eicosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .


The molecule <smiles>NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O</smiles> <smiles>NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O</smiles> is A kanamycin that is kanamycin B in which the 3''-amino group has been replaced by a hydroxy group. Its functional parent is kanamycin B . It is also related to or classified as kanamycins .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 34:0  .


The molecule <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A tetrapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tetrapeptide  .


The molecule <smiles>N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A kanamycin that is kanamycin X in which the 3''-amino group has been replaced by a hydroxy group. Its functional parent is kanamycin X . It is also related to or classified as kanamycins .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylethanolamine 34:2 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:2 zwitterion  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .


The molecule <smiles>[C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCC[NH3+])(=O)[O-])O</smiles> <smiles>[C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCC[NH3+])(=O)[O-])O</smiles> is A lysophosphatidylethanolamine zwitterion 16:0 obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 16:0  .


The molecule <smiles>C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylethanolamine 36:4 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:4 zwitterion  .


The molecule <smiles>CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>[C@](COC(=O)CCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCC)([H])COP(OCC[NH3+])(=O)[O-]</smiles> <smiles>[C@](COC(=O)CCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCC)([H])COP(OCC[NH3+])(=O)[O-]</smiles> is A phosphatidylethanolamine 32:0 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 32:0  .


The molecule <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(O)=O</smiles> <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(O)=O</smiles> is A pentapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and beta-alanine residues coupled in sequence. It is also related to or classified as pentapeptide .


The molecule <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A tetrapeptide comprising N(2)-acetyl-D-phenylalanine, beta-alanine, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having isobutyryl as the acyl substituent. It has the role of human metabolite . Its functional parent is isobutyric acid . It is also related to or classified as C4-acylcarnitine  .


The molecule <smiles>C\C=C(/C)C(=O)NCC(O)=O</smiles> <smiles>C\C=C(/C)C(=O)NCC(O)=O</smiles> is an N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group. It has the role of metabolite . Its functional parent is glycine . It is also related to or classified as N-acylglycine  .


The molecule <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCC(O)=O</smiles> <smiles>CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCC(O)=O</smiles> is an oligopeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and two beta-alanine residues coupled in sequence. It is also related to or classified as oligopeptide  .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A phosphatidylethanolamine 34:1 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:0 zwitterion  .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylethanolamine 34:1 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:1 zwitterion  .


The molecule <smiles>CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide that is the N-(N(alpha)-acetyl-D-histidyl) derivative of L-proline. It is also related to or classified as dipeptide  .


The molecule <smiles>[H]C(=O)c1ccccn1</smiles> <smiles>[H]C(=O)c1ccccn1</smiles> is A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. It is also related to or classified as pyridinecarbaldehyde .


The molecule <smiles>CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is A C5-acylcarnitine having 2-methylbutyryl as the acyl substituent. It has the role of human metabolite . Its functional parent is 2-methylbutyric acid . It is also related to or classified as C5-acylcarnitine  .


The molecule <smiles>C(OP(=O)(OCC[N+](C)(C)C)[O-])[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O</smiles> <smiles>C(OP(=O)(OCC[N+](C)(C)C)[O-])[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O</smiles> is A phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine  . It is also related to or classified as phosphatidylcholine 34:1  .


The molecule <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A tripeptide comprising N(2)-acetyl-D-phenylalanine, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tripeptide  .


The molecule <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O</smiles> <smiles>CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O</smiles> is A tripeptide comprising N(2)-acetyl-D-phenylalanine, L-histidine and D-proline residues coupled in sequence. It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC(C)(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent. It has the role of human metabolite . Its functional parent is 3-hydroxyisovaleric acid . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A dipeptide that is the N(1)-(N(alpha)-acetyl-L-histidyl) derivative of D-prolinamide. It is also related to or classified as dipeptide  .


The molecule <smiles>CC(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A tripeptide comprising N(2)-acetyl-D-glutamic acid, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tripeptide  .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CC(O)=O</smiles> is an O-acylcarnitine having malonyl as the acyl substituent. It has the role of metabolite . Its functional parent is malonic acid . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1</smiles> <smiles>CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1</smiles> is an N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of prodrug . It has the role of cyclooxygenase 2 inhibitor . Its functional parent is valdecoxib . It is also related to or classified as isoxazoles  . It is also related to or classified as N-sulfonylcarboxamide  .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC(O)=O</smiles> is an O-acylcarnitine having succinyl as the acyl substituent. It has the role of human metabolite . Its functional parent is carnitine . It is also related to or classified as hemisuccinate , O-acylcarnitine .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\CCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)\C=C\CCC(O)=O</smiles> is an O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent. It has the role of mouse metabolite . Its functional parent is carnitine . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1</smiles> <smiles>Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1</smiles> is an amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity. It has the role of non-steroidal anti-inflammatory drug . It has the role of cyclooxygenase 2 inhibitor .   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 monocarboxylic acid , amino acid , secondary amino compound .


The molecule <smiles>CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> <smiles>CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O</smiles> is A dipeptide that is the N(1)-(N(alpha)-acetyl-L-histidyl) derivative of D-proline. It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (2E)-octenoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CC\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxy-cis-5-octenoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-(hydroxyoctenoyl)carnitine  . It is also related to or classified as carboxylic ester  . It is also related to or classified as ammonium betaine .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCC(O)=O</smiles> is an O-acylcarnitine having glutaryl as the acyl substituent. It has the role of metabolite . Its functional parent is glutaric acid . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CC\C=C\C=C/C\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC\C=C\C=C/C\C=C\C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (2E,5Z,7E)-decatrienoyl as the acyl substituent. It has the role of mouse metabolite . Its functional parent is carnitine . It is also related to or classified as O-decatrienoylcarnitine  .


The molecule <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)\C=C\CCCCC(O)=O</smiles> <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)\C=C\CCCCC(O)=O</smiles> is an O-acylcarnitine having (2E)-7-carboxyhept-2-enoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-decenoylcarnitine having (4Z)-decenoyl as the acyl substituent. It is also related to or classified as O-decenoylcarnitine  .


The molecule <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCCC(O)=O</smiles> is an O-acylcarnitine having suberoyl (7-carboxyheptanoyl) as the acyl substituent. It has the role of metabolite . Its functional parent is suberic acid . It is a conjugate acid of O-suberoylcarnitine(1-) . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>[H]C12COc3cc(O)ccc3C1([H])Oc1cc3OCOc3cc21</smiles> <smiles>[H]C12COc3cc(O)ccc3C1([H])Oc1cc3OCOc3cc21</smiles> is A member of the class of ptercoarpans that is cis-pterocarpan  substituted by a hydroxy group at position 3 and a methylenedioxy group across positions 8 and 9. It is also related to or classified as pterocarpans  . It is also related to or classified as phenols  .


The molecule <smiles>CCCCCCCC(O)CC(=O)OC(CCC([O-])=O)[N+](C)(C)C</smiles> <smiles>CCCCCCCC(O)CC(=O)OC(CCC([O-])=O)[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxydecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having sebacoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F</smiles> <smiles>COc1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F</smiles> is A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3, and 5 by 4-sulfamoylphenyl, difluoromethyl and 3-fluoro-4-methoxyphenyl groups, respectively. A selective cyclooxygenase 2 inhibitor, it is used in veterinary medicine for the control of pain and inflammation associated with osteoarthritis in dogs. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of cyclooxygenase 2 inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as organofluorine compound  . It is also related to or classified as pyrazoles .


The molecule <smiles>CCCCCCCC\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (5Z)-tetradecenoyl as the acyl substituent. It has the role of human metabolite . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxydodecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCC(O)=O</smiles> is an O-acylcarnitine having pimeloyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>Cc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O</smiles> <smiles>Cc1nc(C2CCCCC2)c(o1)-c1ccc(c(F)c1)S(N)(=O)=O</smiles> is A member of the class of 1,3-oxazoles that is that is 1,3-oxazole which is substituted at positions 2, 4 and 5 by methyl, cyclohexyl, and 3-fluoro-4-sulfamoylphenyl groups, respectively. It has the role of cyclooxygenase 2 inhibitor . It is also related to or classified as sulfonamide  . It is also related to or classified as organofluorine compound  . It is also related to or classified as 1,3-oxazoles .


The molecule <smiles>CCCCC\C=C/C=C/C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C=C/C(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (2E,4Z)-decadienoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-decadienoylcarnitine  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-hexadecadienoylcarnitine having (7Z,10Z)-hexadecadienoyl as the acyl substituent. It is also related to or classified as O-hexadecadienoylcarnitine  .


The molecule <smiles>CCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-hydroxytetradecenoylcarnitine having (9Z)-3-hydroxytetradec-9-enoyl as the acyl substituent. It is also related to or classified as O-(hydroxytetradecenoyl)carnitine  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having palmitoleoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having tetradecanoyl (myristoyl) as the acyl substituent. It has the role of metabolite .  It is also related to or classified as tetradecanoate ester  . It is also related to or classified as O-acylcarnitine .


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


The molecule <smiles>CN1CCCC1=O</smiles> <smiles>CN1CCCC1=O</smiles> is A member of the class of  pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. It has the role of polar aprotic solvent .  It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as lactam  . It is also related to or classified as N-alkylpyrrolidine .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having 13-carboxytridecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCCC\C=C/CCCC(=O)OC(CCC([O-])=O)[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C/CCCC(=O)OC(CCC([O-])=O)[N+](C)(C)C</smiles> is an O-dodecenoylcarnitine having (5Z)-dodecenoyl as the acyl substituent. It is also related to or classified as O-dodecenoylcarnitine  .


The molecule <smiles>CCCCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxypalmitoleoyl as the acyl substituent. It has the role of metabolite . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC\C=C/CCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCC\C=C/CCCCCCCC(O)=O</smiles> is an O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-(carboxytridecenoyl)carnitine  . It is also related to or classified as carboxylic ester  . It is also related to or classified as ammonium betaine .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having stearoyl (octadecanoyl) as the acyl substituent. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxytetradecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-(hydroxymyristoyl)carnitine  . It is also related to or classified as carboxylic ester  . It is also related to or classified as ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-tetradecadienoylcarnitine  having (5Z,8Z)-tetradecadienoyl as the acyl substituent. It is also related to or classified as O-tetradecadienoylcarnitine  .


The molecule <smiles>N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N</smiles> <smiles>N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N</smiles> is A kanamycin that is kanamycin C in which the 3''-amino group has been replaced by a hydroxy group. Its functional parent is kanamycin C . It is also related to or classified as kanamycins .


The molecule <smiles>CCCCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxyoctadecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxylinoleoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having linoleoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>N1=CNC=C1CCC(O)=O</smiles> <smiles>N1=CNC=C1CCC(O)=O</smiles> is A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group. Its functional parent is propionic acid . It is a conjugate acid of dihydrourocanate . It is also related to or classified as imidazoles , monocarboxylic acid .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is hexadecanedioic acid . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>OC(CCC(O)=O)CC(=O)C(O)=O</smiles> <smiles>OC(CCC(O)=O)CC(=O)C(O)=O</smiles> is an oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively. Its functional parent is pimelic acid . It is a conjugate acid of 4-hydroxy-2-oxoheptanedioate . It is also related to or classified as dicarboxylic fatty acid , oxo dicarboxylic acid .


The molecule <smiles>CC(C)(C)NCC(O)c1ccc(O)c(O)c1</smiles> <smiles>CC(C)(C)NCC(O)c1ccc(O)c(O)c1</smiles> is A member of the class of ethanolamines that is catechol in which the hydrogen at position 4 is replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It has the role of anti-asthmatic drug .   It is also related to or classified as catechols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as ethanolamines , triol , secondary amino compound .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1</smiles> <smiles>Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1</smiles> is A C-glycosyl compound that is N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline carrying a single monophospate substituent at position 5'. It is a conjugate acid of N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate(2-) . It is also related to or classified as C-glycosyl compound , tetrahydropterin , ribose monophosphate .


The molecule <smiles>CCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxyhexadecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>Cc1nc2c([nH]c(O)nc2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O</smiles> <smiles>Cc1nc2c([nH]c(O)nc2=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O</smiles> is A pteridine that is lumazine substituted by methyl and oxo groups at C-6 and -7 respectively as well as a 1-D-ribityl group on N-8. It has the role of EC 2.5.1.9 (riboflavin synthase) inhibitor . Its functional parent is ribitol . Its functional parent is lumazine . It is also related to or classified as pteridines .


The molecule <smiles>CCCCCCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (9Z)-3-hydroxyoctadecenoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>COC(=O)[C-]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C</smiles> <smiles>COC(=O)[C-]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C</smiles> is A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll a. It has the role of cofactor . It is also related to or classified as cyclic tetrapyrrole anion .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having arachidonoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>[H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C1=C(S[Mo]([O-])([Se-])(=O)S1)[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2</smiles> <smiles>[H][C@]12Nc3nc(N)[nH]c(=O)c3N[C@@]1([H])C1=C(S[Mo]([O-])([Se-])(=O)S1)[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)O2</smiles> is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of Mo(VI)-oxido Se-molybdopterin cytosine dinucleotide(2-). It is also related to or classified as Mo-molybdopterin cofactor , organophosphate oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxyeicosanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (9Z)-3-hydroxydodecenoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having icosanoyl (arachidoyl) as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having behenoyl (docosanoyl) as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CCCCC\C=C/C\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-(hydroxytetradecadienoyl)carnitine having (5Z,8Z)-3-hydroxytetradecadienoyl as the acyl substituent. It is also related to or classified as O-(hydroxytetradecadienoyl)carnitine  .


The molecule <smiles>O.OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>O.OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A hydrate that is the monohydrate form of anhydrous esculin. It has the role of antioxidant . It is also related to or classified as hydrate .


The molecule <smiles>CCC\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCC\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-(hydroxyhexadecadienoyl)carnitine having (9Z,12Z)-3-hydroxyhexadecadienoyl as the acyl substituent. It is also related to or classified as O-(hydroxyhexadecadienoyl)carnitine  .


The molecule <smiles>CC(C)=CCCC1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1</smiles> <smiles>CC(C)=CCCC1(C)Oc2c(C=C1)c(O)c(CC=C(C)C)c(O)c2C(=O)\C=C\c1ccc(O)c(O)c1</smiles> is A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 3, 4, 2' and 4', a prenyl group at position 3' and a 6-methyl-6-(4-methylpent-3-en-1-yl)-3,6-dihydro-2H-pyran ring fused across positions 5' and 6'. It has the role of plant metabolite . It is also related to or classified as chalcones  . It is also related to or classified as polyphenol , chromenol .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC(O)=O</smiles> is an O-acylcarnitine having (9Z)-17-carboxyheptadec-9-enoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61</smiles> <smiles>COC(=O)[C-]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61</smiles> is A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll b. It has the role of cofactor . It is also related to or classified as cyclic tetrapyrrole anion .


The molecule <smiles>COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61</smiles> <smiles>COC(=O)[C@H]1C(=O)c2c(C)c3C=C4C(C=C)=C(C=O)C5=[N+]4[Mg--]46n3c2C1=C1[C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C)C(C=c2c(C)c(C=C)c(=C5)n42)=[N+]61</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll b with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol. It has the role of cofactor . It is a conjugate acid of divinyl chlorophyll b(1-) . It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  .


The molecule <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having 17-carboxyheptadecanoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having 3-hydroxyarachidonoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>NCCCCCCCCN</smiles> <smiles>NCCCCCCCCN</smiles> is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It is also related to or classified as alkane-alpha,omega-diamine .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (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-glycero-3-phosphoethanolamine  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl as the acyl substituent. It has the role of mouse metabolite . Its functional parent is carnitine . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (13Z,16Z)-docosadienoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5Z,8Z,11Z,14Z-eicosatetraenoyl (arachidonoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is arachidonic acid .  It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as PE(16:0_20:4) .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (9Z,12Z,15Z)-3-hydroxyoctadecatrienoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>COC(=O)[C@H]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C</smiles> <smiles>COC(=O)[C@H]1C(=O)c2c(C)c3=CC4=[N+]5C(=Cc6c(C=C)c(C)c7C=C8[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C9=[N+]8[Mg--]5(n67)n3c2=C19)C(C)=C4C=C</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of divinyl chlorophyll a with the hydroxy group of (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol. It has the role of cofactor . Its functional parent is divinyl chlorophyllide a . It is a conjugate acid of divinyl chlorophyll a(1-) . It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (11Z)-eicoseneoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (11Z,14Z)-eicosadienoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is A glycerophospholipid that is sn-glycerol 1-phosphate carrying two O-phytanyl groups at positions 2 and 3. Its functional parent is 2,3-di-O-phytanyl-sn-glycerol . It is a conjugate acid of 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) . It is also related to or classified as glycerophospholipid .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are both specified as hexadecanoyl (palmitoyl). It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>[C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCCN)(=O)O)O</smiles> <smiles>[C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCCN)(=O)O)O</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the 1-acyl group is specified as hexadecanoyl (palmitoyl). It has the role of human metabolite . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 16:0  .


The molecule <smiles>CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O</smiles> <smiles>CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O</smiles> is A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza. It has the role of antiviral drug . It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor . It has the role of marine xenobiotic metabolite .   It is also related to or classified as acetate ester  . It is also related to or classified as cyclohexenecarboxylic acid , amino acid , primary amino compound .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-icosanoyl derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is icosanoic acid . It is a conjugate acid of N-eicosanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP([O-])([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate; major species at pH 7.3. Its functional parent is 2,3-di-O-phytanyl-sn-glycerol . It is also related to or classified as 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion  . It is also related to or classified as anionic phospholipid .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-hexacosanoyl derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is hexacosanoic acid . It is a conjugate acid of N-hexacosanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-docosanoyl derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is docosanoic acid . It is a conjugate acid of N-docosanoylsphingosine-1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>CC[C@H](O)CC(=O)C([O-])=O</smiles> <smiles>CC[C@H](O)CC(=O)C([O-])=O</smiles> is an optically active form of 4-hydroxy-2-oxohexanoate having 4S-configuration. It is also related to or classified as 4-hydroxy-2-oxohexanoate  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-hexadecanoyl (palmitoyl) derivative of sphingosine. Its functional parent is hexadecanoic acid . Its functional parent is sphingosine . It is a conjugate acid of N-hexadecanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-octadecananoyl (stearoyl) derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is octadecanoic acid . It is a conjugate acid of N-octadecanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>CC[C@H](O)CC(=O)C(O)=O</smiles> <smiles>CC[C@H](O)CC(=O)C(O)=O</smiles> is an optically active form of 4-hydroxy-2-oxohexanoic acid having 4S-configuration. It is a conjugate acid of (S)-4-hydroxy-2-oxohexanoate . It is also related to or classified as 4-hydroxy-2-oxohexanoic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is N-tetracosanoyl derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is tetracosanoic acid . It is a conjugate acid of N-tetracosanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCCCC</smiles> is A ceramide 1-phosphate that is N-tetradecanoyl (myristoyl) derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is tetradecanoic acid . It is a conjugate acid of N-tetradecanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>C[C@H](O)CC(=O)C(O)=O</smiles> <smiles>C[C@H](O)CC(=O)C(O)=O</smiles> is an optically active form of 4-hydroxy-2-oxopentanoic acid having 4S-configuration. It is a conjugate acid of (S)-4-hydroxy-2-oxopentanoate . It is also related to or classified as 4-hydroxy-2-oxopentanoic acid  .


The molecule <smiles>CC(C)[C@@H]1OC2=C(C[C@H](NC(=O)\C(NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C(Cl)Cl)NC(=O)C(O)O)[C@H](O)CCCN)=C/Cl)C(O)=O)C(=O)C(O)C2</smiles> <smiles>CC(C)[C@@H]1OC2=C(C[C@H](NC(=O)\C(NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C(Cl)Cl)NC(=O)C(O)O)[C@H](O)CCCN)=C/Cl)C(O)=O)C(=O)C(O)C2</smiles> is A heterodetic cyclic peptide produced by the fungus Cochliobolus victoriae that is required for pathogenicity in the organism. It has the role of mycotoxin .  It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide .


The molecule <smiles>Cn1c2ccccc2c2OC(C)(C)C=Cc2c1=O</smiles> <smiles>Cn1c2ccccc2c2OC(C)(C)C=Cc2c1=O</smiles> is N-Methylflindersine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCC</smiles> is A ceramide 1-phosphate that is the N-decanoyl derivative of sphingosine. Its functional parent is sphingosine . Its functional parent is decanoic acid . It is a conjugate acid of N-decanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .


The molecule <smiles>C1CCC\C=C\CC1</smiles> <smiles>C1CCC\C=C\CC1</smiles> is A cyclooctene in which the double bond adopts trans-configuration. It is also related to or classified as cyclooctene  .


The molecule <smiles>[H]C(=Nc1ccccc1C(=O)NC(C)c1ccccc1)c1c(O)ccc2ccccc12</smiles> <smiles>[H]C(=Nc1ccccc1C(=O)NC(C)c1ccccc1)c1c(O)ccc2ccccc12</smiles> is A benzamide obtained by formal condensation of the carboxy group of 2-{[(2-hydroxy-1-naphthyl)methylene]amino}benzoic acid with the amino group of 1-phenylethylamine. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of anti-inflammatory agent . It has the role of Sir2 inhibitor . Its functional parent is anthranilic acid .   It is also related to or classified as aldimine  . It is also related to or classified as benzamides , naphthols .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acylcarnitine having (7Z,10Z,13Z,16Z)-docosatetraenoyl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine . It is also related to or classified as O-acylcarnitine .


The molecule <smiles>C[C@H](O)CC(=O)C([O-])=O</smiles> <smiles>C[C@H](O)CC(=O)C([O-])=O</smiles> is an optically active form of 4-hydroxy-2-oxopentanoate having 4S-configuration. It is also related to or classified as 4-hydroxy-2-oxopentanoate  .


The molecule <smiles>CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O</smiles> <smiles>CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O</smiles> is A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group. It has the role of herbicide . It has the role of agrochemical . It has the role of antimitotic .  It is also related to or classified as sulfonamide  . It is also related to or classified as aromatic amine , C-nitro compound , tertiary amino compound .


The molecule <smiles>CNC[C@H](N)C(O)=O</smiles> <smiles>CNC[C@H](N)C(O)=O</smiles> is A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a methylamino group. A non-proteinogenic amino acid produced by cyanobacteria, it is a neurotoxin that has been postulated as a possible cause of neurodegenerative disorders of aging such as Alzheimer's disease, amyotrophic lateral sclerosis, and the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS-PDC) syndrome of Guam. It has the role of neurotoxin . It has the role of bacterial metabolite . It is also related to or classified as diamino acid , secondary amino compound , non-proteinogenic L-alpha-amino acid , L-alanine derivative .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)NCC(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O)C(=O)NCC(O)=O</smiles> is A polypeptide consisting of the first 18 amino acids at the N-terminus of the Bacterial Elongation Factor Tu protein that is capable of eliciting an innate immunity response in plants. It is also related to or classified as polypeptide  .


The molecule <smiles>[H]C(=O)\C=C\C=C(C)\C=C\C=C(/C)C([H])=O</smiles> <smiles>[H]C(=O)\C=C\C=C(C)\C=C\C=C(/C)C([H])=O</smiles> is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 8'- and 13-positions.  It is also related to or classified as enal  . It is also related to or classified as dialdehyde , apo carotenoid .


The molecule <smiles>CSC(=O)c1cccc2nnsc12</smiles> <smiles>CSC(=O)c1cccc2nnsc12</smiles> is A benzothiadiazole that is the S-methyl thioester derivative of acibenzolar. A profungicide (by hydrolysis of the thioester group to give the corresponding carboxylic acid), it is used as a fungicide and plant activator on a variety of crops, including cotton, chili peppers, lettuce, onions, spinach, tobacco, and tomatoes. It has the role of profungicide . It has the role of plant activator . It has the role of antifungal agrochemical . Its functional parent is acibenzolar .  It is also related to or classified as thioester  . It is also related to or classified as benzothiadiazole .


The molecule <smiles>COc1ccc(cc1)C(O)(C1CC1)c1cncnc1</smiles> <smiles>COc1ccc(cc1)C(O)(C1CC1)c1cncnc1</smiles> is A tertiary alcohol that is methanol in which the hydrogens attached to the carbon are replaced by cyclopropyl, p-methoxyphenyl and pyrimidin-5-yl groups. By inhibiting gibberellin biosynthesis, ancymidol reduces plant growth, resulting in reduced internode elongation and thus more compact plants. It is used in the commercial production of a wide variety of container-grown bedding and foliage plants, including chrysanthemums, Easter lilies and poinsettias. It has the role of plant growth retardant . It has the role of cellulose synthesis inhibitor . It has the role of gibberellin biosynthesis inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as pyrimidines .


The molecule <smiles>[H][C@@]1(OC(=O)\C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C</smiles> <smiles>[H][C@@]1(OC(=O)\C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C</smiles> is A concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group. It has the role of metabolite . It has the role of antifungal agent . It has the role of EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor . It is also related to or classified as carbamate ester , concanamycin .


The molecule <smiles>OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)[C@H](O)[C@H]1O</smiles> <smiles>OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)[C@H](O)[C@H]1O</smiles> is A disaccharide consisting of two beta-L-arabinofuranose units joined by a (1->2)-linkage. It is also related to or classified as glycosylarabinose .


The molecule <smiles>[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])c1ccc(O)cc1</smiles> <smiles>[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])c1ccc(O)cc1</smiles> is penicillanic acid carrying a (p-hydroxybenzylidene)amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk. It has the role of hapten . It is also related to or classified as penicillin  .


The molecule <smiles>[H]C(CCCC([H])=Nc1ccc(N)cc1)=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H]</smiles> <smiles>[H]C(CCCC([H])=Nc1ccc(N)cc1)=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H]</smiles> is penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk. It has the role of hapten . It is also related to or classified as penicillin  .


The molecule <smiles>OC(=O)c1cc(Cl)nc(Cl)c1</smiles> <smiles>OC(=O)c1cc(Cl)nc(Cl)c1</smiles> is A member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6. It has the role of EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor .   It is also related to or classified as organochlorine compound  . It is also related to or classified as monocarboxylic acid , pyridines .


The molecule <smiles>CC(C)n1nc(CC(O)=O)nc1-c1ccc(Cl)cc1</smiles> <smiles>CC(C)n1nc(CC(O)=O)nc1-c1ccc(Cl)cc1</smiles> is A member of the class of triazoles that is 1H-triazole that is substituted at positions 1, 3 and 5 by isopropyl, carboxymethyl and p-chlorophenyl groups, respectively. It has been found to produced bleaching of new growth on a variety of dicotyledonous weeds and is a potent inhibitor of Arabidopsis (Arabidopsis thaliana) seedling growth. It has the role of herbicide . It has the role of plant growth retardant .   It is also related to or classified as organochlorine compound  . It is also related to or classified as monocarboxylic acid , triazoles .


The molecule <smiles>SC(=O)c1cccc2nnsc12</smiles> <smiles>SC(=O)c1cccc2nnsc12</smiles> is A benzothiadiazole that is 1,2,3-benzothiadiazole in which the hydrogen at position 7 is replaced by a sulfanylcarbonyl group. It is used (particularly as its S-methyl thioester) as a fungicide and plant activator. It has the role of plant activator . It has the role of antifungal agrochemical . It is also related to or classified as benzothiadiazole .


The molecule <smiles>Brc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccn1</smiles> <smiles>Brc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccn1</smiles> is A sulfonamide obtained by formal condensation of the sulfo group of 4-bromonaphthalene-1-sulfonic acid with the exocyclic amino group of 2-pyridylmethylamine. Mimics the action of the abscisic acid, a phytohormone. It has the role of hormone . It has the role of plant growth regulator . It has the role of abscisic acid receptor agonist .   It is also related to or classified as sulfonamide  . It is also related to or classified as organobromine compound  . It is also related to or classified as naphthalenes , pyridines .


The molecule <smiles>OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O</smiles> <smiles>OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O</smiles> is A member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds. It has the role of herbicide . It has the role of agrochemical . It has the role of EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor .     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 benzoic acids , monocarboxylic acid , aromatic ether , C-nitro compound .


The molecule <smiles>Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(=O)NCCCCN)c1ccccn1</smiles> <smiles>Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(=O)NCCCCN)c1ccccn1</smiles> is the monocarboxylic acid amide formed from dabigatran by reaction of the carboxy group of its beta-alanine moiety with putrecine. It has the role of hapten . It has the role of immunogen . Its functional parent is putrescine . Its functional parent is dabigatran . It is also related to or classified as monocarboxylic acid amide  .


The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O</smiles> <smiles>[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O</smiles> is A steroid glucosiduronic acid that consists of 17alpha-estradiol having beta-glucuronyl and alpha-N-acetylglucosaminyl residues attached via glycosidic linkages at positions 3 and 17 respectively. Its functional parent is 17alpha-estradiol . It is a conjugate acid of 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate . It is also related to or classified as steroid glucosiduronic acid .


The molecule <smiles>CC(O)(C(Cc1ccc(Cl)cc1)n1cncn1)c1ccccc1</smiles> <smiles>CC(O)(C(Cc1ccc(Cl)cc1)n1cncn1)c1ccccc1</smiles> is A member of the class of triazoles that is butan-2-ol which is substituted at positions 2, 3, and 4 by phenyl, 1H-1,2,4-triazol-1-yl and p-chlorophenyl groups, respectively. An inhibitor of brassinosteroid biosynthesis. It has the role of brassinosteroid biosynthesis inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as triazoles , monochlorobenzenes .


The molecule <smiles>O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncn([C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)c2=N</smiles> <smiles>O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncn([C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)c2=N</smiles> is A 1-(5-phospho-D-ribosyl)-ATP in which the 5-phospho-D-ribosyl residue has beta-configuration at the anomeric centre. It is a conjugate acid of 1-(5-phospho-beta-D-ribosyl)-ATP(6-) . It is also related to or classified as 1-(5-phospho-D-ribosyl)-ATP  .


The molecule <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N</smiles> <smiles>O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)n1cnc2c1ncn([C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O)c2=N</smiles> is A 1-(5-phospho-D-ribosyl)-ATP(6-) in which the 5-phospho-D-ribosyl residue has beta-configuration at the anomeric centre. It is also related to or classified as 1-(5-phospho-D-ribosyl)-ATP(6-)  .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12</smiles> is A diastereoisomeric mixture of aloin A (barbaloin) and aloin B (isobarbaloin), which have similar properties. It is a bitter-tasting, yellow-brown colored compound found in the exudate of at least 68 Aloe species at levels of up to 6.6% of leaf dry weight (making between 3% and 35% of the total exudate), and in another 17 species at indeterminate levels. It is used as a stimulant-laxative, treating constipation by inducing bowel movements. It has the role of laxative . It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It is also related to or classified as diastereoisomeric mixture .


The molecule <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> is an arabidopside that is arabidopside B in which the hydrogen of the hydroxy group at position 6 of the beta-D-galactosyl moiety is replaced by an alpha-D-galactosyl group. It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as glycosylgalactose derivative , arabidopside , glycoglycerolipid .


The molecule <smiles>[H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@H]1OC(=O)[C@H]2C</smiles> <smiles>[H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@H]1OC(=O)[C@H]2C</smiles> is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is arglabin in which the exocyclic double bond has been reduced to a single bond. It is found in Artemesia adamsii. It has the role of metabolite . Its functional parent is arglabin . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as sesquiterpene lactone , organic heterotetracyclic compound .


The molecule <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> is an arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl and cis-dinor-oxyphytodienoyl groups at positions 1 and 2, respectively, and in which the carbohydrate moiety is a beta-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as arabidopside .


The molecule <smiles>[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O</smiles> <smiles>[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)ccc21)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O</smiles> is A carbohydrate acid derivative anion that is the conjugate base of 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as carbohydrate acid derivative anion .


The molecule <smiles>[H]C(=O)CCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>[H]C(=O)CCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O</smiles> is an alpha-L-rhamnoside consisting of butanal having an alpha-L-rhamnosyloxy group attached at the 4-position. It is also related to or classified as aldehyde  . It is also related to or classified as alpha-L-rhamnoside  .


The molecule <smiles>C=CCN=C=S</smiles> <smiles>C=CCN=C=S</smiles> is an isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It has the role of lachrymator . It is also related to or classified as alkenyl isothiocyanate  . It is also related to or classified as isothiocyanate  .


The molecule <smiles>CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C</smiles> <smiles>CC(C)CC(=O)C1=C(O)[C@@](O)([C@@H](CC=C(C)C)C1=O)C(=O)CC=C(C)C</smiles> is A cyclic ketone that is the naturally occurring (4S,5R) enantiomer of the cis-isomer of isohumolone, produced during the brewing process due to thermal isomerism, which converts humulones to isohumulones via an acyloin-type ring contraction. It has the role of plant metabolite . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as enol  .  It is also related to or classified as enone  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as cyclic ketone .


The molecule <smiles>C1C(C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](CC4)(C(CO)=O)O)[H])[H])C)[H])=O</smiles> <smiles>C1C(C[C@@]2([C@](C1)([C@@]3([C@@](CC2)([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](CC4)(C(CO)=O)O)[H])[H])C)[H])=O</smiles> is A 17alpha-hydroxy-C21-steroid that is cortisol in which the 4-5 double bond has undergone formal hydrogenation to give the corresponding 5beta- steroid. It is also related to or classified as 17alpha-hydroxy-C21-steroid  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo-5beta-steroid  .   It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as diketone  . It is also related to or classified as triol , 21-hydroxy steroid , 20-oxo steroid .


The molecule <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> is an arabidopside that is arabidopside A in which the hydrogen of the hydroxy group at position 6 of the beta-D-galactosyl moiety is replaced by an alpha-D-galactosyl group. It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as glycosylgalactose derivative , arabidopside , glycoglycerolipid .


The molecule <smiles>CCc1cnccn1</smiles> <smiles>CCc1cnccn1</smiles> is A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well as cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste. It has the role of flavouring agent . It has the role of fragrance . It has the role of Maillard reaction product . It is also related to or classified as pyrazines .


The molecule <smiles>[H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]13CC=C2C</smiles> <smiles>[H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]13CC=C2C</smiles> is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as sesquiterpene lactone , organic heterotetracyclic compound .


The molecule <smiles>[H]C(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>[H]C(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A beta-D-glucoside resultng from the oxidation of the benzylic hydroxy group of salicin to the corresponding aldehyde. It has the role of metabolite . Its functional parent is salicylaldehyde . Its functional parent is salicin .  It is also related to or classified as beta-D-glucoside  . It is also related to or classified as benzaldehydes , monosaccharide derivative .


The molecule <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> <smiles>CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O</smiles> is an arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl groups at positions 1 and 2, and in which the and in which the carbohydrate moiety is a beta-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted. It is also related to or classified as 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol  . It is also related to or classified as beta-D-galactoside  . It is also related to or classified as diester  . It is also related to or classified as arabidopside .


The molecule <smiles>[H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C</smiles> <smiles>[H][C@@]12C\C=C3/C[C@@](C)(CC[C@H]3OO)[C@H](O)[C@@]1([H])OC(=O)C2=C</smiles> is an organic heterotricyclic compound that is a hydroperoxysesquiterpene lactone with a modified germacrane skeleton, isolated from the aerial parts of Tanacetum vulgare. It has the role of metabolite .  It is also related to or classified as secondary alcohol  . It is also related to or classified as peroxol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterotricyclic compound , sesquiterpene lactone .


The molecule <smiles>[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)OC)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O</smiles> <smiles>[H][C@]12CC[C@]3([H])[C@](CC1=C)(C2)[C@@H](C(=O)OC)[C@]1([H])[C@@]2(C)[C@@H](O)[C@@H](O)C[C@@]31OC2=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A34. Its functional parent is gibberellin A1 methyl ester . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .


The molecule <smiles>[H][C@]12CC(=C)[C@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2</smiles> <smiles>[H][C@]12CC(=C)[C@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2</smiles> is A germacrane sesquiterpenoid found Tanacetum vulgare that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14 and in which the hydroxy group at position 1 has epimerised from alpha- to beta-. It has the role of metabolite . It is also related to or classified as diol  .  It is also related to or classified as gamma-lactone  . It is also related to or classified as organic heterobicyclic compound , germacrane sesquiterpenoid .


The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A1. Its functional parent is gibberellin A1 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heteropentacyclic compound , gibberellin ester .


The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O</smiles> <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A3. Its functional parent is gibberellin A3 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as organic heteropentacyclic compound , gibberellin ester .


The molecule <smiles>COC(=O)c1ccccc1N</smiles> <smiles>COC(=O)c1ccccc1N</smiles> is A benzoate ester that is the methyl ester of anthranilic acid. It has the role of metabolite . It has the role of flavouring agent . Its functional parent is anthranilic acid . It is also related to or classified as benzoate ester .


The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O</smiles> <smiles>[C@@H]1([C@@H]([C@H]([C@@](O[C@@H]1CO)(C2=CC=C(C(=C2)CC=3SC(=CC3)C4=CC=C(C=C4)F)C)[H])O)O)O</smiles> is A C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as C-glycosyl compound , thiophenes .


The molecule <smiles>OCCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1</smiles> <smiles>OCCOc1ccc(cc1)C(\c1ccccc1)=C(\CCCl)c1ccccc1</smiles> is an organochlorine compound that is a selective estrogen receptor modulator; used for treatment of dyspareunia. It has the role of antineoplastic agent . It has the role of estrogen receptor modulator . It has the role of anti-inflammatory agent . It is also related to or classified as primary alcohol  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aromatic ether .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is the N-hexacosanoyl derivative of isoglobotriaosyl ceramide. It has the role of antigen . It is also related to or classified as alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer  .


The molecule <smiles>[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> <smiles>[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> is an organic sodium salt having 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate as the counterion. It has the role of antineoplastic agent . It has the role of fibroblast growth factor receptor antagonist . It is also related to or classified as organic sodium salt .


The molecule <smiles>CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12</smiles> <smiles>CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. It has the role of anti-inflammatory agent . It has the role of adenosine A2A receptor agonist . Its functional parent is adenosine . It is also related to or classified as adenosines , monocarboxylic acid , dicarboxylic acid monoamide .


The molecule <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> <smiles>[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A20. Its functional parent is gibberellin A20 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as organic heteropentacyclic compound , gibberellin ester .


The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)CCC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A9. Its functional parent is gibberellin A9 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .


The molecule <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12</smiles> <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group. Its functional parent is adenosine .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organoiodine compound  . It is also related to or classified as adenosines .


The molecule <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12</smiles> <smiles>CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12</smiles> is A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. It has the role of adenosine A3 receptor agonist . Its functional parent is adenosine .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organoiodine compound  . It is also related to or classified as adenosines .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide consisting of L-leucyl, L-glutaminyl and L-proline residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .


The molecule <smiles>CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1</smiles> <smiles>CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1</smiles> is an oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group. It has the role of EC 3.1.4.* (phosphoric diester hydrolase) inhibitor . It has the role of adenosine A1 receptor antagonist . Its functional parent is 7H-xanthine . It is also related to or classified as oxopurine .


The molecule <smiles>COC1(COc2ccccc2O1)C1=NCCN1</smiles> <smiles>COC1(COc2ccccc2O1)C1=NCCN1</smiles> is A benzodioxine that is idazoxan substituted at position 2 by a methoxy group. It has the role of alpha-adrenergic antagonist . Its functional parent is idazoxan . It is also related to or classified as imidazolines , cyclic ketal , benzodioxine .


The molecule <smiles>O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1</smiles> <smiles>O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1</smiles> is A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has the role of hypoglycemic agent . It has the role of sodium-glucose transport protein subtype 2 inhibitor . It is also related to or classified as hydrate .


The molecule <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> <smiles>[H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(=O)OC)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O</smiles> is A gibberellin ester that is the methyl ester of gibberellin A4. Its functional parent is gibberellin A4 . It is also related to or classified as lactone  . It is also related to or classified as methyl ester  . It is also related to or classified as gibberellin ester .