The molecule <smiles>OC(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(O)=O</smiles> <smiles>OC(=O)CC[C@H](N1C(=O)c2ccccc2C1=O)C(O)=O</smiles> is A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group. Its functional parent is phthalimide . It is also related to or classified as phthalimides  . It is also related to or classified as L-glutamic acid derivative .


The molecule <smiles>CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O</smiles> <smiles>CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](NC)[C@@]1(C)O</smiles> is netilmycin. Its functional parent is streptamine .   It is also related to or classified as beta-L-arabinoside  . It is also related to or classified as amino cyclitol glycoside , aminoglycoside antibiotic , monosaccharide derivative .


The molecule <smiles>C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC</smiles> <smiles>C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCCCC</smiles> is A phosphatidylcholine 36:0 where the acyl substituents at positions 1 and 2 are icosanoyl and palmitoyl respectively. Its functional parent is icosanoic acid . Its functional parent is 1-icosanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 36:0  . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC</smiles> is A phosphatidylcholine 26:0 in which the two acyl substituents at positions 1 and 2 are palmitoyl and decanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 26:0  . It is also related to or classified as decanoate ester  .


The molecule <smiles>OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A disaccharide consisting alpha-D-galactosyl and D-gluconic acid residues joined by a (1->6)-linkage. Its functional parent is melibiose .  It is also related to or classified as disaccharide  . It is also related to or classified as carbohydrate acid .


The molecule <smiles>C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> <smiles>C[C@@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (R)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> <smiles>[H][C@@]12CCC3=CC(=O)CC[C@]3(C=O)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]</smiles> is an androstanoid that is  testosterone with an oxo group at position 19. It has the role of androgen . Its functional parent is testosterone .  It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as 3-oxo steroid  . It is also related to or classified as steroid aldehyde , androstanoid .


The molecule <smiles>CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O</smiles> <smiles>CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O</smiles> is A member of the class of  acetophenones that is 1-phenylethanone substituted at position 2 by a hydroxy group, a propyl group at position 3 and a 4-(1H-tetrazol-5-yl)butoxy group at position 4. A leukotriene antagonist, it exhibits  anti-asthmatic activity. It has the role of leukotriene antagonist . It has the role of anti-asthmatic drug .  It is also related to or classified as phenols  . It is also related to or classified as acetophenones , aromatic ether , tetrazoles .


The molecule <smiles>[H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O[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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)CO</smiles> <smiles>[H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O[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]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](O)CO</smiles> is A branched amino hexasaccharide corresponding to the core oligosaccharide of the Gram negative bacterium Francisella tularensis. It is also related to or classified as amino hexasaccharide .


The molecule <smiles>CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC</smiles> <smiles>CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC</smiles> is A quaternary ammonium ion with three octyl groups and one methyl group attached to the nitrogen. It is also related to or classified as quaternary ammonium ion  .


The molecule <smiles>O=c1[nH]c2ccccc2c2ccccc12</smiles> <smiles>O=c1[nH]c2ccccc2c2ccccc12</smiles> is A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity. It has the role of mutagen . It has the role of immunosuppressive agent . It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as lactam  . It is also related to or classified as phenanthridines .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles> is A phosphatidylcholine 30:0 in which the phosphatidyl acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and myristoyl (tetradecanoyl) respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine 30:0  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H]1O</smiles> <smiles>N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H]1O</smiles> is an amino disaccharide consisting of alpha- and beta-D-kanosaminyl residues joined by a (1<->1)-linkage. It has the role of metabolite . It has the role of antimicrobial agent . It is also related to or classified as amino disaccharide , glycosyl glycoside derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and hexanoyl respectively. Its functional parent is 1-hexadecanoyl-sn-glycero-3-phosphocholine . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  . It is also related to or classified as hexanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC</smiles> is A  phosphatidylcholine 24:0 where the acyl groups at position 1 and 2 are palmitoyl and capryloyl respectively. Its functional parent is hexadecanoic acid . It is also related to or classified as phosphatidylcholine 24:0  . It is also related to or classified as octanoate ester  .


The molecule <smiles>[H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O</smiles> <smiles>[H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O</smiles> is A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively. It has the role of metabolite . It is also related to or classified as organochlorine compound  . It is also related to or classified as muconic semialdehyde , alpha,beta-unsaturated monocarboxylic acid , non-proteinogenic alpha-amino acid .


The molecule <smiles>CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C=C/C(=O)C\C=C/CCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of 8-KETE, obtained by deprotonation of the carboxy group.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as oxo-ETE anion , oxo fatty acid anion , polyunsaturated fatty acid anion .


The molecule <smiles>c1ccc2[nH]nnc2c1</smiles> <smiles>c1ccc2[nH]nnc2c1</smiles> is the simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring. It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as benzotriazoles .


The molecule <smiles>C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> <smiles>C[C@H](Oc1ccc(Cl)cc1Cl)C([O-])=O</smiles> is A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentadecanoic acid. Its functional parent is nonadecanoic acid . It is a conjugate acid of nonadecanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .


The molecule <smiles>Clc1ccc(c(Cl)c1)C(=O)n1cnc2ccccc12</smiles> <smiles>Clc1ccc(c(Cl)c1)C(=O)n1cnc2ccccc12</smiles> is A member of the class of  benzamides obtained by the formal condensation of 1H-benzimidazole and  2,4-dichlorobenzoic acid. Its functional parent is 2,4-dichlorobenzoic acid . Its functional parent is 1H-benzimidazole .   It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , benzimidazoles .


The molecule <smiles>Clc1ccc(c(Cl)c1)C(=O)n1nnc2ccccc12</smiles> <smiles>Clc1ccc(c(Cl)c1)C(=O)n1nnc2ccccc12</smiles> is A member of the class of  benzamides that is obtained by the formal condensation of  2,4-dichlorobenzoic acid and  benzotriazole. It acts as an inhibitor for tubulin acetylation mediated by trichostatin A. It has the role of inhibitor . Its functional parent is 2,4-dichlorobenzoic acid . Its functional parent is benzotriazole .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , benzotriazoles .


The molecule <smiles>CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/[C@H](O)[C@H]1O[C@H]1C\C=C/CCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as epoxy(hydroxy)icosatrienoate .


The molecule <smiles>CC1=C(CC(=O)OCCCCO[N+]([O-])=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O</smiles> <smiles>CC1=C(CC(=O)OCCCCO[N+]([O-])=O)c2cc(F)ccc2C\1=C/c1ccc(cc1)S(C)=O</smiles> is A carboxylic ester that is the 4-(nitrooxy)butyl ester of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has the role of non-steroidal anti-inflammatory drug . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of antineoplastic agent . It has the role of prodrug . It has the role of apoptosis inducer . Its functional parent is sulindac . It is also related to or classified as sulfoxide  . It is also related to or classified as carboxylic ester  . It is also related to or classified as organofluorine compound  . It is also related to or classified as nitrate ester .


The molecule <smiles>NCc1c(O)c(Cl)cc(Cl)c1Cl</smiles> <smiles>NCc1c(O)c(Cl)cc(Cl)c1Cl</smiles> is A member of the class of  trichlorophenols that is phenol substituted by chloro groups at positions 3, 4 and 6 and an aminomethyl group at position 2. Its functional parent is benzylamine . It is also related to or classified as trichlorophenols , primary amino compound .


The molecule <smiles>CCCCCCCC[C@H](O)\C=C\CCCCCCC([O-])=O</smiles> <smiles>CCCCCCCC[C@H](O)\C=C\CCCCCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as unsaturated fatty acid anion , hydroxy fatty acid anion .


The molecule <smiles>[O-][N+](=O)c1cc(ccc1Br)C(=O)Oc1ccc(OC(=O)c2ccc(Br)c(c2)[N+]([O-])=O)c(c1)C(=O)c1ccccc1</smiles> <smiles>[O-][N+](=O)c1cc(ccc1Br)C(=O)Oc1ccc(OC(=O)c2ccc(Br)c(c2)[N+]([O-])=O)c(c1)C(=O)c1ccccc1</smiles> is A member of the class of  benzophenones that is benzophenone substituted by (4-bromo-3-nitrobenzoyl)oxy groups at positions 1 and 4.    It is also related to or classified as organobromine compound  . It is also related to or classified as benzophenones , C-nitro compound , benzoate ester .


The molecule <smiles>[Na+].[O-]C(=O)CCCc1ccccc1</smiles> <smiles>[Na+].[O-]C(=O)CCCc1ccccc1</smiles> is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has the role of geroprotector . It has the role of prodrug . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of neuroprotective agent . It has the role of orphan drug . It is also related to or classified as organic sodium salt .


The molecule <smiles>[O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1</smiles> <smiles>[O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1</smiles> is A member of the class of  benzamides obtained by the formal condensation of 2-(aminomethyl)-3,4,6-trichlorophenol and  benzoic acid. The carboxamide is further esterified at the phenolic hydroxy group by 4-nitrobenzoic acid. Its functional parent is 4-nitrobenzoic acid . Its functional parent is benzoic acid . Its functional parent is 2-(aminomethyl)-3,4,6-trichlorophenol .  It is also related to or classified as trichlorobenzene  . It is also related to or classified as benzamides , C-nitro compound , benzoate ester .


The molecule <smiles>[O-][N+](=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1</smiles> <smiles>[O-][N+](=O)c1ccccc1NC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1</smiles> is A member of the class of  benzamides that is N-(2-nitrophenyl)benzamide substituted by a chloro group at position 2 and a piperidin-1-ylsulfonyl group at position 5.   It is also related to or classified as sulfonamide  . It is also related to or classified as benzamides , piperidines , C-nitro compound , monochlorobenzenes .


The molecule <smiles>OC(=O)c1ccc(cc1NC(=O)c1ccccc1)[N+]([O-])=O</smiles> <smiles>OC(=O)c1ccc(cc1NC(=O)c1ccccc1)[N+]([O-])=O</smiles> is A member of the class of  benzamides obtained by the formal condensation of the amino group of  4-nitroanthranilic acid with the carboxy group of benzoic acid. Its functional parent is benzoic acid . Its functional parent is 4-nitroanthranilic acid . It is also related to or classified as benzamides , nitrobenzoic acid .


The molecule <smiles>CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O</smiles> <smiles>CC(\C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O</smiles> is A  hydroxamic acid that is urea in which both the hydrogens attached to one of the nitrogens are replaced by a hydroxy and a (1E)-1-[3-(4-fluorophenoxy)phenyl]but-1-en-3-yl group. A selective inhibitor of arachidonate 5-lipoxygenase, it can be used for the treatment of asthma. It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as hydroxamic acid , aromatic ether , ureas .


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]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]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-galactosyl-(1->4)-beta-D-glucosylceramide where the ceramide N-acyl group is specified as hexacosanoyl. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO</smiles> is A 1-monoglyceride where the acyl group is oleoyl. It has the role of plant metabolite . Its functional parent is oleic acid . It is also related to or classified as 1-acylglycerol 18:1  . It is also related to or classified as monooleoylglycerol  .


The molecule <smiles>CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC([O-])=O</smiles> <smiles>CC\C=C/C\C=C/C[C@H](OO)\C=C\CCCCCCC([O-])=O</smiles> is the monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>CCCCCCCC[C@H](OO)\C=C\CCCCCCC([O-])=O</smiles> <smiles>CCCCCCCC[C@H](OO)\C=C\CCCCCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroperoxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group.   It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyoctadecenoate , unsaturated fatty acid anion , hydroperoxy fatty acid anion .


The molecule <smiles>COc1ccc(cc1)C(CC(=O)c1ccccc1)Nc1ccc(Br)cc1</smiles> <smiles>COc1ccc(cc1)C(CC(=O)c1ccccc1)Nc1ccc(Br)cc1</smiles> is an aromatic ketone that is propiophenone substituted at position 3 by (4-bromophenyl)amino and 4-methoxyphenyl groups respectively.  It is also related to or classified as organobromine compound  . It is also related to or classified as aromatic ether , secondary amino compound , aromatic ketone .


The molecule <smiles>COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> <smiles>COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> is A glycosyloxyflavone that is tricin attached to a D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of metabolite . Its functional parent is 3',5'-di-O-methyltricetin .  It is also related to or classified as D-glucoside  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dimethoxyflavone , dihydroxyflavone , monosaccharide derivative .


The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A glycosyloxyflavone that is tricin 7-O-glucoside with the hydroxy group on the glycosyl ring at position 6 replaced with a sinapoyl moiety. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is tricin 7-O-glucoside .  It is also related to or classified as D-glucoside  .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dimethoxyflavone , cinnamate ester , dihydroxyflavone , monosaccharide derivative .


The molecule <smiles>Nc1cc(ccc1C(O)=O)[N+]([O-])=O</smiles> <smiles>Nc1cc(ccc1C(O)=O)[N+]([O-])=O</smiles> is an aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4. It has the role of mutagen . Its functional parent is anthranilic acid . It is also related to or classified as aminobenzoic acid , nitrobenzoic acid .


The molecule <smiles>Clc1ccc2nnc(-c3ccccc3)n2n1</smiles> <smiles>Clc1ccc2nnc(-c3ccccc3)n2n1</smiles> is 6-chloro-3-phenyl[1,2,4]triazolo[4,3-b]pyridazine. It is also related to or classified as organochlorine compound  . It is also related to or classified as triazolopyridazine .


The molecule <smiles>CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1</smiles> <smiles>CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(OC)c1</smiles> is A member of the class of  thioureas that is 3,4-dihydropyrimidine-2(1H)-thione substituted by a 3-methoxyphenyl group at position 4, a methyl group at position 6 and a ethoxycarbonyl group at position 5. It is also related to or classified as ethyl ester  . It is also related to or classified as aromatic ether , pyrimidinecarboxylate ester , thioureas .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-octadecenoic acid. Its functional parent is cis-vaccenic acid . It is a conjugate acid of (11Z)-octadecenoyl-CoA(4-) . It is also related to or classified as octadecenoyl-CoA  .


The molecule <smiles>Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1</smiles> <smiles>Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1</smiles> is A phthalate ester that is the mixed diester obtained by the formal condensation of carboxy groups of phthalic acid with hydroxy groups of 2,4,6-tribromophenol and prop-2-yn-1-ol respectively. Its functional parent is prop-2-yn-1-ol . Its functional parent is 2,4,6-tribromophenol .  It is also related to or classified as organobromine compound  . It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as phthalate ester .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A beta-D-glucosylceramide where 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 beta-D-glucosyl-N-acylsphingosine  .


The molecule <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z)-octadecenoic acid. Its functional parent is petroselinic acid . It is a conjugate acid of (6Z)-octadecenoyl-CoA(4-) . It is also related to or classified as octadecenoyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  .


The molecule <smiles>Brc1ccc(NC(=O)c2ccc(cc2)N2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(Br)cc2)cc1</smiles> <smiles>Brc1ccc(NC(=O)c2ccc(cc2)N2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(Br)cc2)cc1</smiles> is A member of the class of  isoindoles that is 1H-isoindole-1,3(2H)-dione substituted at position 5 by a 4-bromoanilinocarbonyl group and at position 2 by a 4-[(4-bromophenyl)carbamoyl]phenyl group.   It is also related to or classified as organobromine compound  . It is also related to or classified as benzamides , isoindoles .


The molecule <smiles>Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nc2ccccc2o1</smiles> <smiles>Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1nc2ccccc2o1</smiles> is A  sulfonamide that is 4-methylbenzenesulfonamide in which one of the hydrogens attached to nitrogen atom is replaced by a 2-(1,3-benzoxazol-2-yl)phenyl group. It is also related to or classified as sulfonamide  . It is also related to or classified as 1,3-benzoxazoles .


The molecule <smiles>O=C(Nc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1</smiles> <smiles>O=C(Nc1ccc(\C=C\C(=O)c2ccccc2)cc1)C(c1ccccc1)c1ccccc1</smiles> is A a monocarboxylic acid amide that is 2,2-diphenylacetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl group. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as enone  . It is also related to or classified as aromatic ketone .


The molecule <smiles>Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1</smiles> <smiles>Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1</smiles> is an amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine. Its functional parent is 2,6-dimethylaniline . Its functional parent is glycinamide . Its functional parent is N-(3,5-dimethylphenyl)glycine . It is also related to or classified as amino acid amide , glycine derivative .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O</smiles> <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as (10Z)-heptadecenoyl. It is a conjugate acid of 1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-D-myo-inositol  .


The molecule <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (6Z)-octadecenoyl respectively. Its functional parent is oleic acid . Its functional parent is petroselinic acid . It is a conjugate acid of 1-oleoyl-2-(6Z)-octadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>COc1cc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O</smiles> <smiles>COc1cc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O</smiles> is A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by a feruloyl moiety. It has the role of metabolite . Its functional parent is trans-ferulic acid . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .


The molecule <smiles>CC(Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> <smiles>CC(Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> is an aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether. It is also related to or classified as dichlorobenzene  . It is also related to or classified as monocarboxylic acid , aromatic ether .


The molecule <smiles>NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> <smiles>NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> is A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.  It is also related to or classified as sulfonamide  . It is also related to or classified as organochlorine compound  . It is also related to or classified as naphthalenes , primary amino compound .


The molecule <smiles>CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1</smiles> <smiles>CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc2o1</smiles> is A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted at positions 2 and 5 by 4-ethylphenyl and 3-nitrobenzamido groups respectively. It is also related to or classified as benzamides , C-nitro compound , 1,3-benzoxazoles .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and (11Z)-octadecenoyl respectively. Its functional parent is oleic acid . Its functional parent is cis-vaccenic acid . It is a conjugate acid of 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as phosphatidic acid 36:2  . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol in which the 1-acyl group is specified as (10Z)-heptadecenoyl. It is a conjugate acid of 1-(10Z)-heptadecenoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol  .


The molecule <smiles>COc1ccc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1O</smiles> <smiles>COc1ccc(\C=C\C(=O)OCC2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1O</smiles> is A C-glycosyl compound that is isovitexin with the hydroxy group at position 7 replaced with a glucopyranosyl entity which in turn is substituted at position 6 by an isoferuloyl moiety. It has the role of metabolite . Its functional parent is isovitexin . Its functional parent is isoferulic acid . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .


The molecule <smiles>[NH3+]CCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> <smiles>[NH3+]CCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> is an ammonium ion obtained by the protonation of the amino group of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide. It is a conjugate acid of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>Nc1ccc(cc1)C(c1ccc(N)cc1)=C1C=CC(=N)C=C1</smiles> <smiles>Nc1ccc(cc1)C(c1ccc(N)cc1)=C1C=CC(=N)C=C1</smiles> is an imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-aminophenyl groups. The hydrochloride salt is the histological dye 'pararosaniline'. It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as imine  . It is also related to or classified as substituted aniline .


The molecule <smiles>Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> <smiles>Cl.NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1</smiles> is A hydrochloride salt prepared from equimolar amounts of N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide and hydrogen chloride. It is also related to or classified as hydrochloride .


The molecule <smiles>NC(=N)NC(=N)Nc1ccccc1</smiles> <smiles>NC(=N)NC(=N)Nc1ccccc1</smiles> is A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group. It has the role of central nervous system drug . Its functional parent is biguanide . It is also related to or classified as guanidines .


The molecule <smiles>Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1</smiles> <smiles>Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1</smiles> is A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. It has the role of inhibitor . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as pyrroloquinoline  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as cyclic ketone .


The molecule <smiles>C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> <smiles>C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> is the S- (inactive) enantiomer of dichlorprop. It is a conjugate acid of (S)-dichlorprop(1-) . It is also related to or classified as 2-(2,4-dichlorophenoxy)propanoic acid  .


The molecule <smiles>O=C(C=1[C@@H](C=2C=C(C=CC2)O)NC(NC1C)=S)OCC</smiles> <smiles>O=C(C=1[C@@H](C=2C=C(C=CC2)O)NC(NC1C)=S)OCC</smiles> is an ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has R configuration. It is also related to or classified as ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate  .


The molecule <smiles>COc1cc(\C=C\C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@H]2O)cc(OC)c1O</smiles> is A disaccharide derivative that is isovitexin attached to a 4-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-alpha-L-arabinopyranosyl residue at position 2 via a glycosidic linkage. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester , disaccharide derivative .


The molecule <smiles>Cc1ccc2N=C3N(CC[C@]3(O)C(=O)c2c1)c1ccccc1</smiles> <smiles>Cc1ccc2N=C3N(CC[C@]3(O)C(=O)c2c1)c1ccccc1</smiles> is the (R)-enantiomer of blebbistatin. It is also related to or classified as blebbistatin  . It is also related to or classified as tertiary alpha-hydroxy ketone  .


The molecule <smiles>CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1</smiles> <smiles>CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1</smiles> is an ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has S configuration. It is also related to or classified as ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate  .


The molecule <smiles>Cc1cc(C)cc(NCC(O)=O)c1</smiles> <smiles>Cc1cc(C)cc(NCC(O)=O)c1</smiles> is A glycine derivative whose structure comprises a glycine core carrying a N-(3,5-dimethylphenyl) substituent. It is also related to or classified as glycine derivative , non-proteinogenic alpha-amino acid .


The molecule <smiles>CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1</smiles> <smiles>CCOC(=O)C1=C(C)NC(=S)NC1c1cccc(O)c1</smiles> is A racemate comprising equimolar amounts of R- and S-monastrol. It has the role of antineoplastic agent . It has the role of EC 3.5.1.5 (urease) inhibitor . It has the role of antimitotic . It has the role of antileishmanial agent . It is also related to or classified as racemate .


The molecule <smiles>C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> <smiles>C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O</smiles> is the R- (active) enantiomer of dichlorprop. It is used as a herbicide for killing annual and broad leaf weeds. It has the role of synthetic auxin . It has the role of agrochemical . It has the role of phenoxy herbicide . It has the role of EC 1.11.1.6 (catalase) inhibitor . It is a conjugate acid of (R)-dichlorprop(1-) . It is also related to or classified as 2-(2,4-dichlorophenoxy)propanoic acid  .


The molecule <smiles>Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1</smiles> <smiles>Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccccc1</smiles> is the (S)-enantiomer of blebbistatin. It is also related to or classified as blebbistatin  . It is also related to or classified as tertiary alpha-hydroxy ketone  .


The molecule <smiles>C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1</smiles> <smiles>C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1</smiles> is A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as pyridines , primary amino compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCC</smiles> is A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 2-acyl substituent is specified as lauroyl (dodecanoyl). It is a conjugate acid of 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-1D-myo-inositol(1-) . It is also related to or classified as 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(C)=O)OCOC(C)=O</smiles> <smiles>CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(C)=O)OCOC(C)=O</smiles> is an organic phosphonate that is the trisacetoxymethylester derivative of naphthalene substituted  hydroxymethylphosphonic acid. It has been found to inhibit insulin receptor tyrosine kinase activity and insulin stimulated glucose oxidation. It has the role of tyrosine kinase inhibitor . Its functional parent is hydroxymethylphosphonic acid .   It is also related to or classified as acetate ester  . It is also related to or classified as naphthalenes , organic phosphonate .


The molecule <smiles>CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1</smiles> <smiles>CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1</smiles> is A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of  arachidonate 5-lipoxygenase. It has the role of antineoplastic agent . It has the role of leukotriene antagonist . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is also related to or classified as indoles , monocarboxylic acid , aryl sulfide , monochlorobenzenes .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](OC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> is A trihydroxyflavone that is the 4'''-O-sinapoyl derivative of isoscoparin 2''-O-arabinoside. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester , disaccharide derivative .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> is A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by an alpha-L-arabinopyranosyl residue. It has the role of metabolite . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .


The molecule <smiles>N\C(Sc1ccccc1)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1</smiles> <smiles>N\C(Sc1ccccc1)=C(C#N)/C(C#N)=C(\N)Sc1ccccc1</smiles> is A dinitrile that is succinonitrile in which the methylene hydrogens at positions 2 and 3 are substituted by amino(phenylsulfanyl)methylidene groups. It acts as an inhibitor of MEK (mitogen activated protein kinase kinase). It has the role of protein kinase inhibitor .  It is also related to or classified as enamine  . It is also related to or classified as dinitrile  . It is also related to or classified as aryl sulfide .


The molecule <smiles>COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O</smiles> <smiles>COC(=O)c1cc2cc(ccc2n1Cc1ccc(Cl)cc1)S(C)(=O)=O</smiles> is an indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2. It has the role of cyclooxygenase 2 inhibitor . It is also related to or classified as methyl ester  . It is also related to or classified as sulfone  . It is also related to or classified as indolyl carboxylate ester , monochlorobenzenes .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@@H]1NC(C)=O</smiles> is A linear amino trisaccharide consisting of a chain of  N-acetyl-beta-D-glucosamine,  N-acetyl-beta-D-galactosamine and alpha-D-mannose residues linked sequentially (1->3) and (1->4). It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino trisaccharide .


The molecule <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO</smiles> <smiles>CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O)O[C@@H]1CO</smiles> is an amino disaccharide comprised of N-acetyl-beta-D-glucosamine linked (1->4) to D-mannose. It is also related to or classified as acetamides , amino disaccharide , glucosamine oligosaccharide , glycosylmannose derivative .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)  .


The molecule <smiles>Cc1nc(=O)c2cccc(O)c2[nH]1</smiles> <smiles>Cc1nc(=O)c2cccc(O)c2[nH]1</smiles> is A member of the class of  quinazolines that is quinazolin-4(1H)-one substituted by a hydroxy group at position 8 and a methyl group at position 2. It has been shown to exhibit inhibitory activity against  poly(ADP-ribose) polymerase. It has the role of EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor . It is also related to or classified as phenols  . It is also related to or classified as quinazolines .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C)=CC(O)=C1</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(C)=CC(O)=C1</smiles> is A polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a all-trans-nonaprenyl group at position 6. It is also related to or classified as polyprenylhydroquinone , dihydroxytoluene .


The molecule <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is A member of the class of  hydroquinones that is  2,3-dimethylbenzene-1,4-diol substituted by a phytyl group at position 6. It is also related to or classified as hydroquinones  .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> is A polyprenylhydroquinone that is 2-methylbenzene-1,4-diol substituted by a geranylgeranyl group at position 6.  It is also related to or classified as hydroquinones  . It is also related to or classified as polyprenylhydroquinone .


The molecule <smiles>CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12</smiles> <smiles>CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12</smiles> is A pyrazoloquinoline that is  (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. It has the role of dopamine agonist . It is also related to or classified as pyrazoloquinoline .


The molecule <smiles>CSCCC(N)C(=O)NO</smiles> <smiles>CSCCC(N)C(=O)NO</smiles> is A hydroxamic acid that is the amide of methionine hydroxylated at the amidic nitrogen. It has the role of EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor . Its functional parent is methionine . It is also related to or classified as hydroxamic acid , methionine derivative .


The molecule <smiles>CSc1ccc(cc1)\C=C1\C(C)=C(CC(O)=O)c2cc(F)ccc12</smiles> <smiles>CSc1ccc(cc1)\C=C1\C(C)=C(CC(O)=O)c2cc(F)ccc12</smiles> is an  aryl sulfide that is a metabolite of  sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. It has the role of non-steroidal anti-inflammatory drug . It has the role of antineoplastic agent . It has the role of apoptosis inducer . Its functional parent is sulindac .   It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aryl sulfide .


The molecule <smiles>C(=C/C=1C=C(CSC2=NC=3C=CC=CC3S2)C(=C(C1)OC)O)(\C(=O)N)/C#N</smiles> <smiles>C(=C/C=1C=C(CSC2=NC=3C=CC=CC3S2)C(=C(C1)OC)O)(\C(=O)N)/C#N</smiles> is an organic sulfide that consists of  1,3-benzothiazole-2-thiol in which the hydrogen attached to the sulfur atom is replaced by a 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2-hydroxy-3-methoxybenzyl group. It acts as an  epidermal growth factor receptor antagonist. It has the role of epidermal growth factor receptor antagonist . Its functional parent is 1,3-benzothiazole-2-thiol . It is also related to or classified as primary carboxamide  . It is also related to or classified as organic sulfide  . It is also related to or classified as nitrile  . It is also related to or classified as phenols  .   It is also related to or classified as enamide  . It is also related to or classified as aromatic ether , benzothiazoles .


The molecule <smiles>O=C(CC(=O)c1ccccc1)c1ccccc1</smiles> <smiles>O=C(CC(=O)c1ccccc1)c1ccccc1</smiles> is A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of antimutagen . It is also related to or classified as beta-diketone , aromatic ketone .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> is A glycosyloxyflavone that is chrysoeriol in which the hydroxyl hydrogen at position 7 is replaced by a gentiobiosyl moiety. It has the role of metabolite . Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone . It is also related to or classified as gentiobioside  . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dihydroxyflavone , disaccharide derivative .


The molecule <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> <smiles>CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1cc(O)cc(C)c1O</smiles> is A member of the class of hydroquinones that is 2-methylbenzene-1,4-diol substituted by a phytyl group at position 6. It is also related to or classified as hydroquinones  . It is also related to or classified as dihydroxytoluene .


The molecule <smiles>Oc1ccc(cc1)C(=O)CC(=O)c1c(O)cc(O)cc1O</smiles> <smiles>Oc1ccc(cc1)C(=O)CC(=O)c1c(O)cc(O)cc1O</smiles> is A beta-diketone that is dibenzoylmethane with hydroxy substituents at C-4 of one phenyl group and at C-2, -4 and -6 of the other. It has the role of antineoplastic agent . Its functional parent is dibenzoylmethane . It is also related to or classified as beta-diketone , aromatic ketone .


The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isovitexin .    It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .


The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)c(C)c(C)c1O</smiles> is A  polyprenylhydroquinone that is 2,3-dimethylbenzene-1,4-diol substituted by a geranylgeranyl group at position 6.  It is also related to or classified as hydroquinones  . It is also related to or classified as polyprenylhydroquinone .


The molecule <smiles>[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> <smiles>[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> is an organic cation that is the cationic component of iodonitrotetrazolium violet. It is also related to or classified as organic cation .


The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O</smiles> is A disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a 6-O-sinapoyl-beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester , disaccharide derivative .


The molecule <smiles>Nc1n[nH]c(N)n1</smiles> <smiles>Nc1n[nH]c(N)n1</smiles> is an aromatic amine that is 1,2,4-triazole substituted at positions 3 and 5 by amino groups. It has the role of antineoplastic agent . It has the role of DNA synthesis inhibitor . It has the role of EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor . It is also related to or classified as aromatic amine , triazoles .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, beta-glucosidase, which cleaves the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product. It has the role of chromogenic compound . Its functional parent is indoxyl . It is also related to or classified as beta-D-glucoside  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolyl carbohydrate , D-aldohexose derivative .


The molecule <smiles>NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(O)=O</smiles> is A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence. It has the role of metabolite . It has the role of chelator . It has the role of hepatoprotective agent . It has the role of vulnerary . It is also related to or classified as tripeptide  .


The molecule <smiles>COc1cc(O)c(O)cc1\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>COc1cc(O)c(O)cc1\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-(6-methoxycaffeoyl)glucosyl residue. It has the role of metabolite . Its functional parent is trans-caffeic acid . Its functional parent is isovitexin .    It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O</smiles> is (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-) in which both stereocentres have (R)-configuration. It is also related to or classified as (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate(3-)  .


The molecule <smiles>COC1=C(OC)C=C2C(NC3=CC(Cl)=CC=C3)=NC=NC2=C1</smiles> <smiles>COC1=C(OC)C=C2C(NC3=CC(Cl)=CC=C3)=NC=NC2=C1</smiles> is A member of the class of  quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an  epidermal growth factor receptor antagonist. It has the role of geroprotector . It has the role of antiviral agent . It has the role of antineoplastic agent . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as aromatic ether , quinazolines , monochlorobenzenes .


The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc3oc(cc(=O)c3c2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A disaccharide derivative that is isovitexin substituted at position 2'' on the glucose ring by a beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is isovitexin . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite . Its functional parent is isovitexin .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , dihydroxyflavone , disaccharide derivative .


The molecule <smiles>C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N4[C@@H](CCC4)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)=O)CCC(=O)N)CC(C)C)CCCCN)C)=O)=O)CCCCN)CCCCN)CO)CCC(=O)O)CCCCN)CCCNC(N)=N)CCC(=O)N)CCC(=O)N)C(C)C)CCCNC(N)=N)CCC(=O)N)CC=5N=CNC5)CCC(=O)O)=O)CO)CC(C)C)CC=6C=CC=CC6)COC(=O)CCCCCCC)CO)N</smiles> <smiles>C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N1[C@@H](CCC1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N4[C@@H](CCC4)C(=O)N[C@H](C(=O)O)CCCNC(=N)N)=O)CCC(=O)N)CC(C)C)CCCCN)C)=O)=O)CCCCN)CCCCN)CO)CCC(=O)O)CCCCN)CCCNC(N)=N)CCC(=O)N)CCC(=O)N)C(C)C)CCCNC(N)=N)CCC(=O)N)CC=5N=CNC5)CCC(=O)O)=O)CO)CC(C)C)CC=6C=CC=CC6)COC(=O)CCCCCCC)CO)N</smiles> is A 28-membered appetite-stimulating polypeptide consisting of Gly, Ser, Ser(octanoyl), Phe, Leu, Ser, Pro, Glu, His, Gln, Arg, Val, Gln, Gln, Arg, Lys, Glu, Ser, Lys, Lys, Pro, Pro, Ala, Lys, Leu, Gln, Pro and Arg residues joined in sequence. The O-n-octanoylation of the side-chain hydroxy group of serine-3 (Ser3) is essential for ghrelin's activity. It has the role of antineoplastic agent . It has the role of appetite enhancer . It has the role of antiatherogenic agent . It has the role of apoptosis inducer . It has the role of human metabolite . It is also related to or classified as polypeptide  . It is also related to or classified as peptide hormone .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1</smiles> is isovitexin 2''-O-arabinoside. It has the role of metabolite . Its functional parent is isovitexin .  It is also related to or classified as arabinoside  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)NO</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)NO</smiles> is an arginine derivative obtained by formal condensation of the carboxy group of L-arginine with the amino group of hydroxylamine. It is also related to or classified as guanidines , hydroxamic acid , L-arginine derivative .


The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is one of the primary forms of gastrin that is a 34-membered peptide consisting of Gln, Leu, Gly, Pro, Gln, Gly, Pro, Pro, His, Leu, Val, Ala, Asp, Pro, Ser, Lys, Lys, Gln, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence. It is also related to or classified as gastrin .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is isovitexin .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , dihydroxyflavone , monosaccharide derivative .


The molecule <smiles>[Cl-].[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> <smiles>[Cl-].[O-][N+](=O)c1ccc(cc1)-n1nc(n[n+]1-c1ccc(I)cc1)-c1ccccc1</smiles> is an organic chloride salt having iodonitrotetrazolium as the counterion. It has the role of histological dye . It is also related to or classified as organic chloride salt .


The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is one of the primary forms of gastrin that is a 17-membered peptide consisting of Glp, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe-NH2 residues joined in sequence. It has the role of antineoplastic agent . It is also related to or classified as gastrin .


The molecule <smiles>NCC(=O)NO</smiles> <smiles>NCC(=O)NO</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of glycine with the amino group of hydroxylamine. It has the role of EC 1.4.4.2 [glycine dehydrogenase (aminomethyl-transferring)] inhibitor . It is also related to or classified as glycine derivative , hydroxamic acid .


The molecule <smiles>O([C@@H](CO)COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCCCC)=O</smiles> <smiles>O([C@@H](CO)COC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCCCC)=O</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and decanoyl are the 1- and 2-acyl groups, respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as decanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and stearoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2o1</smiles> is A C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , dihydroxyflavone , disaccharide derivative .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-oleoyl-2-palmitoylglycerol  .


The molecule <smiles>CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and lauroyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O</smiles> is one of the primary forms of gastrin that is a 14-membered peptide consisting of Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe residues joined in sequence. It is also related to or classified as peptidyl amide , gastrin .


The molecule <smiles>OP(O)(=O)Oc1cccc2ccccc12</smiles> <smiles>OP(O)(=O)Oc1cccc2ccccc12</smiles> is an aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 1-naphthol. It is a substrate for phosphatase. It is also related to or classified as aryl phosphate .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC</smiles> is A 1,2-diacyl-sn-glycerol where butyryl and oleoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . Its functional parent is butyric acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-butanoyl-2-oleoylglycerol  . It is also related to or classified as butyrate ester  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and myristoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>CCCCCCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is dodecanoyl (lauroyl). It is also related to or classified as 2-monoglyceride  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is hexadecanoyl (palmitoyl). It has the role of algal metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as 2-acylglycerol 16:0  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where linoleoyl forms the 2-acyl group. Its functional parent is linoleic acid . It is also related to or classified as 2-acylglycerol 18:2  .


The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising five D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid . It is also related to or classified as oligopeptide  .


The molecule <smiles>FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1</smiles> <smiles>FC(F)(F)Oc1ccc(NN=C(C#N)C#N)cc1</smiles> is A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. It has the role of geroprotector . It has the role of ATP synthase inhibitor . It has the role of ionophore . Its functional parent is hydrazonomalononitrile . It is also related to or classified as nitrile  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as hydrazone  . It is also related to or classified as aromatic ether .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is tetradecanoyl (myristoyl). It is also related to or classified as 2-monoglyceride  . It is also related to or classified as monoacylglycerol 14:0  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>C[C@@H](O)[C@H](C)O</smiles> <smiles>C[C@@H](O)[C@H](C)O</smiles> is the meso diastereoisomer of butane-2,3-diol. It has the role of metabolite . It is also related to or classified as butane-2,3-diol  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol where oleoyl and arachidonoyl are the 1- and 2-acyl groups respectively. It has the role of mouse metabolite . Its functional parent is arachidonic acid . Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .


The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising nine D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid . It is also related to or classified as oligopeptide  .


The molecule <smiles>CCCCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is decanoyl (caprinoyl). It is also related to or classified as 2-monoglyceride  . It is also related to or classified as monodecanoylglycerol  .


The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc(O)c4c(c3)oc(cc4=O)-c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A glycosyloxyflavone that is tricin substituted at positions 4 and 7 by beta-glucosyl 6-O-sinapoylglucosyl residues respectively. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is 3',5'-di-O-methyltricetin . It is also related to or classified as beta-D-glucoside  .    It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as dimethoxyflavone , cinnamate ester , monohydroxyflavone .


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


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol where octanoyl and oleoyl form the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-octanoyl-2-oleoylglycerol  . It is also related to or classified as octanoate ester  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has stearoyl and oleoyl as the 1- and 2-acyl groups respectively. It has the role of mouse metabolite . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-stearoyl-2-oleoylglycerol  . It is also related to or classified as diacylglycerol 36:1  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is octadecanoyl (stearoyl). Its functional parent is octadecanoic acid . It is also related to or classified as 2-acylglycerol 18:0  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A  1,2-diacyl-sn-glycerol where arachidonoyl and oleoyl form the 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-arachidonoyl-2-oleoylglycerol  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A  1,2-diacyl-sn-glycerol where icosanoyl and oleoyl are the 1- and 2-acyl groups respectively. Its functional parent is oleic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-icosanoyl-2-oleoylglycerol  .


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


The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol that has lauroyl and oleoyl as 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-lauroyl-2-oleoylglycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol where linoleoyl and oleoyl form the 1- and 2-acyl groups respectively. It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-linoleoyl-2-oleoylglycerol  .


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


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol with palmitoyl as the 1-acyl group and oleoyl as the 2-acyl group. It has the role of mouse metabolite . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-palmitoyl-2-oleoylglycerol  .


The molecule <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> <smiles>N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O</smiles> is an oligopeptide comprising ten D-glutamic acid residues linked by peptidic bonds between the amino and gamma-carboxy groups. Its functional parent is D-glutamic acid . It is also related to or classified as oligopeptide  .


The molecule <smiles>OS(=O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>OS(=O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an aryl sulfate that is indoxyl sulfate in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indoles , aryl sulfate .


The molecule <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O</smiles> <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with the 5-hydroxy group of (+)-quinic acid. It has the role of metabolite . Its functional parent is cis-caffeic acid . Its functional parent is (+)-quinic acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O</smiles> is A 39-membered polypeptide consisting of His, Ser, Asp, Gly, Thr, Phe, Thr, Ser, Asp, Leu, Ser, Lys, Gln, Met, Glu, Glu, Glu, Ala, Val, Arg, Leu, Phe, Ile, Glu, Trp, Leu, Lys, Asn, Gly, Gly, Pro, Ser, Ser, Gly, Ala, Pro, Pro, Pro and Ser-NH2 residues joined in sequence. It is isolated from venom of the Gila monster lizard Heloderma horridum. It has the role of metabolite . It has the role of glucagon-like peptide-1 receptor agonist . It is also related to or classified as polypeptide  .


The molecule <smiles>NC(CO)C(=O)NO</smiles> <smiles>NC(CO)C(=O)NO</smiles> is A hydroxamic acid obtained by formal condensation of the carboxy group of serine with the amino group of hydroxylamine. It has the role of EC 6.1.1.11 (serine--tRNA ligase) inhibitor . It is also related to or classified as hydroxamic acid , serine derivative .


The molecule <smiles>CCCCCCCC\C=C\CCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCC\C=C\CCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphocholine that is the mono-1-elaidyl ester of phosphocholine. It has the role of antineoplastic agent . It is also related to or classified as phosphocholines .


The molecule <smiles>N1(C=CN=C1[N+]([O-])=O)CC(NCCO)=O</smiles> <smiles>N1(C=CN=C1[N+]([O-])=O)CC(NCCO)=O</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has the role of radiosensitizing agent . It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of prodrug . Its functional parent is ethanolamine .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as imidazoles , C-nitro compound .


The molecule <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(O)=O</smiles> <smiles>O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid. It has the role of metabolite . Its functional parent is (-)-quinic acid . Its functional parent is 4-coumaric acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .


The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])([O-])=O</smiles> <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\COP([O-])([O-])=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of phytyl phosphate. It is also related to or classified as organophosphate oxoanion .


The molecule <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 3-hydroxy group of quinic acid. It has the role of metabolite . Its functional parent is (-)-quinic acid . Its functional parent is 4-coumaric acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .


The molecule <smiles>CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of octanoic (caprylic) acid with the hydroxy group of 5-bromo-4-chloroindoxyl. Its functional parent is indoxyl .   It is also related to or classified as octanoate ester  . It is also related to or classified as chloroindole , bromoindole .


The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O</smiles> <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is (-)-quinic acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .


The molecule <smiles>C1=C(C(=C(C=C1/C=C/C(O[C@H]2[C@H](O)C[C@@](C[C@H]2O)(C(O)=O)O)=O)OC)O)OC</smiles> <smiles>C1=C(C(=C(C=C1/C=C/C(O[C@H]2[C@H](O)C[C@@](C[C@H]2O)(C(O)=O)O)=O)OC)O)OC</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid. Its functional parent is trans-sinapic acid . Its functional parent is (-)-quinic acid . It is also related to or classified as quinic acid , cinnamate ester .


The molecule <smiles>CCCCCCCCCC(=O)OC[C@@H](O)CO</smiles> <smiles>CCCCCCCCCC(=O)OC[C@@H](O)CO</smiles> is A 1-acyl-sn-glycerol that is the S-enantiomer of 2,3-dihydroxypropyl decanoate. It is also related to or classified as 1-acyl-sn-glycerol  . It is also related to or classified as 1-monodecanoylglycerol  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO</smiles> is A 2-monoglyceride where the acyl group is (9Z,12Z,15Z)-octadecatrienoyl (alpha-linolenoyl). Its functional parent is alpha-linolenic acid . It is also related to or classified as 2-monoglyceride  .


The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-galactoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as indolyl carbohydrate , D-aldohexose derivative .


The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-glucoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl . It is also related to or classified as alpha-D-glucoside  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolyl carbohydrate , D-aldohexose derivative .


The molecule <smiles>[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as capryl (decanoyl) and oleoyl (9Z-octadecenoyl) respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1-decanoyl-2-oleoylglycerol  . It is also related to or classified as decanoate ester  .


The molecule <smiles>[H][C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as alpha-D-glucosiduronic acid  . It is also related to or classified as indolyl carbohydrate , monosaccharide derivative .


The molecule <smiles>C1(C=2C=C(C=CC2)[N+](=O)[O-])C(=C(NC(=C1C(OC)=O)C)C)C(OCCN(CC3=CC=CC=C3)C)=O.Cl</smiles> <smiles>C1(C=2C=C(C=CC2)[N+](=O)[O-])C(=C(NC(=C1C(OC)=O)C)C)C(OCCN(CC3=CC=CC=C3)C)=O.Cl</smiles> is nicardipine hydrochloride. It has the role of geroprotector . It is also related to or classified as dihydropyridine  .


The molecule <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>[H]C(=Cc1ccc(O)cc1)C(=O)OC[C@H]1OC(Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(OC)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosyloxyflavone that is chrysoeriol in which the hydroxyl hydrogen at position 7 is replaced by a 6-p-coumaroylglucosyl residue. It has the role of metabolite . Its functional parent is 4',5,7-trihydroxy-3'-methoxyflavone . Its functional parent is 4-coumaric acid . It is also related to or classified as monomethoxyflavone  .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as cinnamate ester , dihydroxyflavone , monosaccharide derivative .


The molecule <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> <smiles>COc1cc(cc(OC)c1O)\C=C\C(=O)O[C@@H]1C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O</smiles> is A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is (-)-quinic acid . It is also related to or classified as cinnamate ester , cyclitol carboxylic acid .


The molecule <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> <smiles>COc1cc(\C=C\C(=O)OC[C@H]2OC(Oc3cc4oc(cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isoorientin .    It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by an alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl moiety. It has the role of metabolite . Its functional parent is isoorientin .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-galactosaminide of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl . It is also related to or classified as D-galactosaminide  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolyl carbohydrate , monosaccharide derivative .


The molecule <smiles>COc1cc(ccc1O)\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>COc1cc(ccc1O)\C=C\C(=O)OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-feruloylglucosyl residue. It has the role of metabolite . Its functional parent is trans-ferulic acid . Its functional parent is isoorientin .    It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , cinnamate ester .


The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucosaminide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. Its functional parent is indoxyl .  It is also related to or classified as D-glucosaminide  . It is also related to or classified as indolyl carbohydrate , chloroindole , bromoindole , monosaccharide derivative .


The molecule <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the alpha-D-mannoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound . Its functional parent is indoxyl .  It is also related to or classified as alpha-D-mannoside  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as indolyl carbohydrate , D-aldohexose derivative .


The molecule <smiles>[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> <smiles>[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12</smiles> is an indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It has the role of chromogenic compound . Its functional parent is indoxyl .   It is also related to or classified as organochlorine compound  . It is also related to or classified as organobromine compound  . It is also related to or classified as beta-D-glucosiduronic acid , indolyl carbohydrate , monosaccharide derivative .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1</smiles> is A trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by a beta-D-glucosyl residue. It has the role of metabolite . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .


The molecule <smiles>CCCCCCCCCC(=O)OC[C@H](O)CO</smiles> <smiles>CCCCCCCCCC(=O)OC[C@H](O)CO</smiles> is A 3-acyl-sn-glycerol that is the R-enantiomer of 2,3-dihydroxypropyl decanoate. It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-monodecanoylglycerol  .


The molecule <smiles>OC1=CC=C(Cl)C=C1C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O</smiles> <smiles>OC1=CC=C(Cl)C=C1C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O</smiles> is A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections. It has the role of anticoronaviral agent . It has the role of piscicide . It has the role of molluscicide . It has the role of antiparasitic agent . It has the role of anthelminthic drug . It has the role of apoptosis inducer . It has the role of STAT3 inhibitor . Its functional parent is 5-chlorosalicylic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as C-nitro compound , salicylanilides , monochlorobenzenes , benzamides .


The molecule <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC3O[C@H](COC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> <smiles>COc1cc(ccc1O)-c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC3O[C@H](COC(=O)\C=C\c4cc(OC)c(O)c(OC)c4)[C@@H](O)[C@H](O)[C@H]3O)cc2o1</smiles> is A C-glycosyl compound that is isoscoparin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has the role of metabolite . Its functional parent is trans-sinapic acid . Its functional parent is isoscoparin .  It is also related to or classified as monomethoxyflavone  .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , cinnamate ester , dihydroxyflavone .


The molecule <smiles>OC[C@H](COC(CCCCCCCCCCC)=O)O</smiles> <smiles>OC[C@H](COC(CCCCCCCCCCC)=O)O</smiles> is A 3-acyl-sn-glycerol that is the R-enantiomer of 2,3-dihydroxypropyl dodecanoate (glyceryl monolaurate). It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-monolauroylglycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 2,3-diacyl-sn-glycerol that has oleoyl and lauroyl as the 2- and 3-acyl groups respectively. It is also related to or classified as 2,3-diacyl-sn-glycerol  . It is also related to or classified as 1-lauroyl-2-oleoylglycerol  . It is also related to or classified as dodecanoate ester  .


The molecule <smiles>OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1OC(Oc2cc3oc(cc(=O)c3c(O)c2[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a glucosyl residue. It has the role of metabolite . Its functional parent is isoorientin .   It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , monosaccharide derivative .