The molecule <smiles>Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1</smiles> <smiles>Ic1cccc2c(cccc12)S(=O)(=O)N1CCCNCC1</smiles> is an N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18). It has the role of EC 2.7.11.18 (myosin-light-chain kinase) inhibitor . It is also related to or classified as organoiodine compound  . It is also related to or classified as N-sulfonyldiazepane .


The molecule <smiles>CCCCCCCCCCCCOCCO</smiles> <smiles>CCCCCCCCCCCCOCCO</smiles> is A hydroxyether that is ethylene glycol substituted on one of the oxygens by a dodecyl group. Its functional parent is ethylene glycol . It is also related to or classified as primary alcohol  . It is also related to or classified as hydroxyether  .


The molecule <smiles>C[C@@H]1OC(O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1OC(O)[C@H](O)C[C@H]1O</smiles> is A lactol that is the pyranose form of ascarylose.  It is also related to or classified as lactol  . It is also related to or classified as ascarylose .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as heptadecanoyl. Its functional parent is heptadecanoic acid . It is a conjugate acid of 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phosphate  .


The molecule <smiles>Oc1ccc(Cl)cc1-c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C#N)c(=O)[nH]1</smiles> <smiles>Oc1ccc(Cl)cc1-c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c(C#N)c(=O)[nH]1</smiles> is A pyridone that is pyridin-2(1H)-one which is substituted at positions 3, 4, and 6 by cyano, 3,5-bis(benzyloxy)phenyl, and 5-chloro-2-hydroxyphenyl groups, respectively. It is an inhibitor for Survivin-Ran protein complex. It has the role of inhibitor . It has the role of antineoplastic agent . It has the role of antimitotic . It has the role of survivin dimerisation modulator .  It is also related to or classified as phenols  . It is also related to or classified as hydroxynitrile , aromatic ether , pyridone , benzyl ether , monochlorobenzenes .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=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>CCCCCCCC\C=C/CCCCCCCC(=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 lysophosphatidylinositol 18:1(1-) obtained by deprotonation of the phosphate OH group of 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-)  . It is also related to or classified as lysophosphatidylinositol 18:1(1-)  .


The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>C[C@@H]1O[C@H](O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@H](O)[C@H](O)C[C@H]1O</smiles> is an ascarylopyranose that has beta configuration at the anomeric centre. It is also related to or classified as ascarylopyranose  .


The molecule <smiles>C[C@H](O)CCCCC(O)=O</smiles> <smiles>C[C@H](O)CCCCC(O)=O</smiles> is A 6-hydroxyheptanoic acid that has S configuration at the chiral centre. It is also related to or classified as 6-hydroxyheptanoic acid  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=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>CCCCCCCC\C=C/CCCCCCCC(=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 acyl group is specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-D-myo-inositol  .


The molecule <smiles>CCCOC(=O)CCc1ccc(O)c(OC)c1</smiles> <smiles>CCCOC(=O)CCc1ccc(O)c(OC)c1</smiles> is A carboxylic ester that is the propyl ester of dihydroferulic acid. Its functional parent is 3-phenylpropionic acid . It is also related to or classified as carboxylic ester  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ester .


The molecule <smiles>N[C@@H]([C@H](O)[C@@H](O)COC(N)=O)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O</smiles> <smiles>N[C@@H]([C@H](O)[C@@H](O)COC(N)=O)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O</smiles> is A member of the class of polyoxins that is isolated from the soil organism Streptomyces cacaoi var. asoensis. Polyoxorim exhibits fungicidal properties and may be used on rice, industrial grounds, golf courses and parks. It has the role of EC 2.4.1.16 (chitin synthase) inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as polyoxin , antibiotic fungicide .


The molecule <smiles>CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1</smiles> <smiles>CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1</smiles> is A carbamate ester that is the methyl ester of [2-({[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl)phenyl]methoxycarbamic acid. A fungicide used to control major plant pathogens including Septoria tritici, Puccinia spp. and Pyrenophora teres. It has the role of xenobiotic . It has the role of mitochondrial cytochrome-bc1 complex inhibitor . It has the role of environmental contaminant . It has the role of antifungal agrochemical . It is also related to or classified as pyrazoles , aromatic ether , monochlorobenzenes , methoxycarbanilate strobilurin antifungal agent , carbanilate fungicide , carbamate ester .


The molecule <smiles>C[C@@H](O)CCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCC(O)=O</smiles> is A 6-hydroxyheptanoic acid that has R configuration at the chiral centre. It is also related to or classified as 6-hydroxyheptanoic acid  .


The molecule <smiles>SC(=S)N1CCCC1</smiles> <smiles>SC(=S)N1CCCC1</smiles> is A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine. It has the role of geroprotector . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of radical scavenger . It has the role of neuroprotective agent . It has the role of NF-kappaB inhibitor .  It is also related to or classified as dithiocarbamic acids  . It is also related to or classified as pyrrolidines .


The molecule <smiles>CC(O)CCCCC(O)=O</smiles> <smiles>CC(O)CCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is heptanoic acid in which one of the hydrogens at position 6 is replaced by a hydroxy group. Its functional parent is heptanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H]1O[C@@H](O)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@@H]1O[C@@H](O)[C@H](O)C[C@H]1O</smiles> is an ascarylopyranose that has alpha configuration at the anomeric centre. It is also related to or classified as ascarylopyranose  .


The molecule <smiles>Nc1nc(=O)c2ncn(CCOCP(O)(O)=O)c2[nH]1</smiles> <smiles>Nc1nc(=O)c2ncn(CCOCP(O)(O)=O)c2[nH]1</smiles> is 9-[2-(phosphonomethoxy)ethyl]guanine. Its functional parent is guanine . It is also related to or classified as phosphoethanolamine .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCC\C=C/CCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCC\C=C/CCCC([O-])=O</smiles> is an icosatrienoate that is the conjugate base of (5Z,11Z,14Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosatrienoate  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC(O)=O</smiles> is an icosatetraenoic acid in which the four double bonds have Z configuration and are located at positions 5, 11, 14 and 17. It has the role of plant metabolite . It is a conjugate acid of (5Z,11Z,14Z,17Z)-icosatetraenoate . It is also related to or classified as icosatetraenoic acid  .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCC\C=C/CCCC(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCC\C=C/CCCC(O)=O</smiles> is an icosatrienoic acid in which the three double bonds have Z configuration and are located at positions 5, 11 and 14. It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is a conjugate acid of (5Z,11Z,14Z)-icosatrienoate . It is also related to or classified as fatty acid 20:3  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC([O-])=O</smiles> <smiles>CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC([O-])=O</smiles> is an icosatetraenoate that is the conjugate base of (5Z,11Z,14Z,17Z)-icosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosatetraenoate  .


The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/CCCCCCCC([O-])=O</smiles> <smiles>CCCCCCCCCCCCCCCC\C=C/CCCCCCCC([O-])=O</smiles> is A hexacosenoate that is the conjugate base of (9Z)-hexacosenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hexacosenoate  .


The molecule <smiles>CCCC\C=C/CCCCCCCCCCCCO</smiles> <smiles>CCCC\C=C/CCCCCCCCCCCCO</smiles> is A long-chain fatty alcohol that is stearyl alcohol which has been dehydrogenated to introduce a cis double bond between positions 13 and 14. It is also related to or classified as long-chain primary fatty alcohol  .


The molecule <smiles>CC\C=C\C(CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(O)=O)OO1</smiles> <smiles>CC\C=C\C(CC)CCC[C@@]1(CC)C[C@H](CC)[C@H](CC(O)=O)OO1</smiles> is A marine-derived polyketide endoperoxide that exhibits strong inhibitory activity against the opportunistic fungal pathogens Candida albicans, Cryptococcus neoformans and Aspergillus fumigatus. It has the role of antifungal agent . It has the role of marine metabolite .   It is also related to or classified as polyketide  . It is also related to or classified as monocarboxylic acid , organic peroxide , dioxanes .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+]</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+]</smiles> is A phosphatidylethanolamine 34:1 obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 34:1 zwitterion  .


The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/CCCCCCCC(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCC\C=C/CCCCCCCC(O)=O</smiles> is A hexacosenoic acid in which the double bond is located at position 9 and has Z configuration. It is a conjugate acid of (9Z)-hexacosenoate . It is also related to or classified as hexacosenoic acid .


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


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


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


The molecule <smiles>C[C@@H](O)CCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-non-2-enoic acid in which the hydrogen at the 8 pro-R position is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CC(O)CCC(C)=O</smiles> <smiles>CC(O)CCC(C)=O</smiles> is A ketone that is hexan-2-one in which one of the hydrogens at position 5 is replaced by a hydroxy group. It is also related to or classified as ketone  . It is also related to or classified as secondary alcohol  .


The molecule <smiles>C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is A hydroxy ketone ascaroside obtained by formal condensation of the hydroxy group of (5R)-5-hydroxyhexan-2-one with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#3, ascr#4, and ascr#8 in male attraction. It has the role of pheromone . It has the role of Caenorhabditis elegans metabolite . Its functional parent is (5R)-5-hydroxyhexan-2-one . It is also related to or classified as methyl ketone , hydroxy ketone ascaroside .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylethanolamine 34:2 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 34:2 zwitterion  .


The molecule <smiles>C[C@@H](O)CCC(C)=O</smiles> <smiles>C[C@@H](O)CCC(C)=O</smiles> is A 5-hydroxyhexan-2-one that has R configuration. It is also related to or classified as 5-hydroxyhexan-2-one  .


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


The molecule <smiles>C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> <smiles>C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A hydroxy ketone ascaroside that is ascr#2 in which the hydroxy group at position 2 of the  ascarylopyranose moiety has been converted to the corresponding beta-D-glucoside. A metabolite of the nematode Caenorhabditis elegans, it is only weakly dauer inducing, but synergises with ascr#2, ascr#3, and ascr#8 in male attraction. It has the role of pheromone . It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#2 . It is also related to or classified as methyl ketone , glycosyl glycoside derivative , hydroxy ketone ascaroside .


The molecule <smiles>C[C@@H](O)CC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CC\C=C\C(O)=O</smiles> is A hydroxy fatty acid that is trans-2-heptenoic acid in which the 6-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (E)-hept-2-enoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is caproic acid in which the 5-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is hexanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F</smiles> <smiles>CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F</smiles> is A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. It has the role of antineoplastic agent . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as coumarins , pyridines , aryloxypyrimidine , sulfamides .


The molecule <smiles>C[C@@H](O)CCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is nonanoic acid in which the 8-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is nonanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>CC1=C(CCNC(=O)C2=C(F)C=CC=C2)C2=C(N1)C=CC=C2</smiles> <smiles>CC1=C(CCNC(=O)C2=C(F)C=CC=C2)C2=C(N1)C=CC=C2</smiles> is A member of the class of indoles that is 2-methyltryptamine in which a hydrogen attached to the primary amino group has been replaced by a 2-fluorobenzoyl group. It is a cell-permeable inhibitor of actin assembly mediated by actin-related protein Arp2/3 complex which works by binding to Arp2/3 complex, stabilising the inactive state of the complex and preventing its movement into the active conformation. It has the role of actin polymerisation inhibitor .   It is also related to or classified as organofluorine compound  . It is also related to or classified as benzamides , indoles .


The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine; major species at pH 7.3. It is also related to or classified as UDP-2,3-diacyl-alpha-D-glucosamine(2-)  .


The molecule <smiles>C[C@@H](O)CCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-oct-2-enoic acid in which the hydrogen at the 7-pro-R position is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>O=c1c2ccccc2c(=O)c(=O)c1=O</smiles> <smiles>O=c1c2ccccc2c(=O)c(=O)c1=O</smiles> is A member of the class of tetralins that is tetralin in which oxo groups replace the hydrogens at positions 1, 2, 3, and 4. It has the role of geroprotector . It is also related to or classified as tetralins , aromatic ketone .


The molecule <smiles>OC1(O)C(=O)c2ccccc2C(=O)C1(O)O</smiles> <smiles>OC1(O)C(=O)c2ccccc2C(=O)C1(O)O</smiles> is A ketone hydrate that is naphthalene-1,2,3,4-tetrone in which water has been added to the keto groups at positions 2 and 3. It has been used as an antiviral agent in nasal ointment. It has the role of antibacterial agent . It has the role of antipsoriatic . It has the role of topoisomerase inhibitor . Its functional parent is naphthalene-1,2,3,4-tetrone .  It is also related to or classified as ketone hydrate  . It is also related to or classified as tetralins .


The molecule <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC</smiles> is A UDP-amino sugar having 2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine as the amino sugar component. It is a conjugate acid of UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(2-) . It is also related to or classified as UDP-2,3-diacyl-alpha-D-glucosamine  .


The molecule <smiles>CCCCC\C=C/CC(OO)\C=C\C=C/CCCCCCC(O)=O</smiles> <smiles>CCCCC\C=C/CC(OO)\C=C\C=C/CCCCCCC(O)=O</smiles> is A hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12. It is a conjugate acid of 12-HPE(8,10,14)TrE(1-) . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as icosanoid  .


The molecule <smiles>O=C1CC(=O)c2ccccc12</smiles> <smiles>O=C1CC(=O)c2ccccc12</smiles> is A member of the class of indanones that is indane in which the hydrogens at positions 2 and 4 have been replaced by oxo groups. It is also related to or classified as indanones , beta-diketone , aromatic ketone .


The molecule <smiles>CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> <smiles>CC\C=C/C\C=C/CC(OO)\C=C\C=C/C\C=C/C\C=C/CCC(O)=O</smiles> is A hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of 14-HPDHE(1-) . It is also related to or classified as hydroperoxydocosahexaenoic acid .


The molecule <smiles>[Na+].[O-]N=O</smiles> <smiles>[Na+].[O-]N=O</smiles> is an inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning. It has the role of antihypertensive agent . It has the role of poison . It has the role of antimicrobial food preservative . It has the role of food antioxidant . It has the role of antidote to cyanide poisoning . It is also related to or classified as inorganic sodium salt , nitrite salt .


The molecule <smiles>Nc1n[n+]([O-])c2ccccc2[n+]1[O-]</smiles> <smiles>Nc1n[n+]([O-])c2ccccc2[n+]1[O-]</smiles> is A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of apoptosis inducer . Its functional parent is 1,2,4-benzotriazine .  It is also related to or classified as N-oxide  . It is also related to or classified as aromatic amine , benzotriazines .


The molecule <smiles>C[C@@H](O)CCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-decenoic acid in which the hydrogen at the 9-pro-R position is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> <smiles>[Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). It has the role of carcinogenic agent . It has the role of fluorochrome . It has the role of histological dye . It is also related to or classified as organic sodium salt , organosulfonate salt .


The molecule <smiles>CC(C)(C)c1cc(O)ccc1O</smiles> <smiles>CC(C)(C)c1cc(O)ccc1O</smiles> is A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has the role of food antioxidant . It is also related to or classified as hydroquinones  .


The molecule <smiles>[O-][N+](=O)c1ccc(Cl)c2nonc12</smiles> <smiles>[O-][N+](=O)c1ccc(Cl)c2nonc12</smiles> is A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor . It has the role of fluorescent probe . It has the role of fluorochrome . It has the role of EC 3.6.1.3 (adenosinetriphosphatase) inhibitor .  It is also related to or classified as organochlorine compound  . It is also related to or classified as C-nitro compound , benzoxadiazole .


The molecule <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1</smiles> <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(C)c1</smiles> is an aminonaphthalenesulfonic acid that is the free acid form of trypan blue dye. It has the role of dye . It is a conjugate acid of trypan blue(4-) . It is also related to or classified as azobenzenes  . It is also related to or classified as naphthols , aminonaphthalenesulfonic acid .


The molecule <smiles>OCCCCCCCCNC(=O)C(F)(F)F</smiles> <smiles>OCCCCCCCCNC(=O)C(F)(F)F</smiles> is A trifluoroacetamide resulting from the formal condensation of the amino group of 8-aminooctan-1-ol with trifluoroacetic acid. It is also related to or classified as secondary carboxamide  . It is also related to or classified as trifluoroacetamide .


The molecule <smiles>NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycoside that consists of the linear trisaccharide beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp having a 2-aminoethoxy moiety at the reducing-end anomeric centre. Its functional parent is ethanolamine . Its functional parent is beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp . It is also related to or classified as glycoside  .


The molecule <smiles>OS(O)(=O)=O.N[C@@H](CCONC(N)=N)C(O)=O</smiles> <smiles>OS(O)(=O)=O.N[C@@H](CCONC(N)=N)C(O)=O</smiles> is an organic sulfate salt obtained by combining L-canavanine with one molar equivalent of sulfuric acid. It has the role of plant metabolite . It is also related to or classified as organic sulfate salt .


The molecule <smiles>CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> <smiles>CC(C)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3</smiles> is A cholestanoid that is 5alpha-cholesta-8,14-dien-3beta-ol bearing two additional methyl substituents at position 4.  It is also related to or classified as 3beta-sterol  . It is also related to or classified as tetracyclic triterpenoid , cholestanoid .


The molecule <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> <smiles>Cc1cc(ccc1\N=N\c1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(\N=N\c2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1</smiles> is an organosulfonate oxoanion that is the tetraanionic form of trypan blue. It is also related to or classified as organosulfonate oxoanion  .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2). It is also related to or classified as glycoside  .


The molecule <smiles>C[C@@]12C[C@@H](OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1</smiles> <smiles>C[C@@]12C[C@@H](OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1</smiles> is Palmarin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-)  .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](C)O[C@H]5O[C@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]6NC(C)=O)O[C@@H](C)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H](C)[C@H](O)[C@H]4OC(C)=O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](C)O[C@H]5O[C@H]5[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]6NC(C)=O)O[C@@H](C)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@@H](C)[C@H](O)[C@H]4OC(C)=O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the rhamnose residue four residues from the reducing end acetylated on O-3. It is also related to or classified as glycoside  .


The molecule <smiles>O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)COC(=O)C)O[C@H]6[C@@H](O[C@H]([C@@H]([C@H]6OC(=O)C)O)C)O[C@H]7[C@@H](O[C@H]([C@@H]([C@H]7O)O)C)O[C@H]8[C@H]([C@@H](O[C@H]([C@@H]8O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)OCCN)NC(=O)C)O)NC(=O)C)O</smiles> <smiles>O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)COC(=O)C)O[C@H]6[C@@H](O[C@H]([C@@H]([C@H]6OC(=O)C)O)C)O[C@H]7[C@@H](O[C@H]([C@@H]([C@H]7O)O)C)O[C@H]8[C@H]([C@@H](O[C@H]([C@@H]8O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)OCCN)NC(=O)C)O)NC(=O)C)O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the rhamnose residue four residues from the reducing end the N-acetylglucosamine residue five residues from the reducing end acetylated on O-3 and O-6 respectively. It is also related to or classified as glycoside  .


The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is the 2-aminoethyl glycoside of an amino decasaccharide made of two alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1->2) and with the N-acetylglucosamine residue five residues from the reducing end acetylated on O-6. It is also related to or classified as glycoside  .


The molecule <smiles>CC(O)CCCCCCCCC(O)=O</smiles> <smiles>CC(O)CCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> <smiles>NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A glycoside that consists of the linear trisaccharide beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp having a 2-aminoethoxy moiety at the reducing-end anomeric centre. Its functional parent is ethanolamine . Its functional parent is beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp . It is also related to or classified as glycoside  .


The molecule <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> <smiles>CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-)  .


The molecule <smiles>CC(O)CCCCCC\C=C\C(O)=O</smiles> <smiles>CC(O)CCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-undec-2-enoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-undec-2-enoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is octanoic acid in which the 7-pro-R hydrogen has been replaced by a hydroxy group. Its functional parent is octanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-tetradecenoic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-2-tetradecenoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate); major species at pH 7.3. It is also related to or classified as 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate(3-)  .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is tridecanoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is tridecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>CC(O)CCCCCCC\C=C\C(O)=O</smiles> <smiles>CC(O)CCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-dodecenoic acid in which the 11-pro-R hydrogen is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is capric acid in which the 9-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is decanoic acid . It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is myristic acid in which the 13-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is tetradecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>CC(O)CCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>CC(O)CCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-pentadecenoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-2-pentadecenoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) arising from deprotonation of all five free phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3',5'-bisphosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-)  .


The molecule <smiles>CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)C1=O</smiles> <smiles>CC(=O)N[C@H]1[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate); major species at pH 7.3. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-)  . It is also related to or classified as 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-)  .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is hexadecanoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as 15-hydroxypalmitic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is an anionic phospholipid arising from deprotonation of all three free phosphate OH groups of 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate); major species at pH 7. It is also related to or classified as anionic phospholipid .


The molecule <smiles>CCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>CCCCCCCCCCCC\C=C\C(O)=O</smiles> is A pentadecenoic acid in which the olefinic double bond is at position 2 and has E configuration. It is also related to or classified as pentadecenoic acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is pentadecanoic acid in which the 14-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is pentadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-heptadec-2-enoic acid in which the 16-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (2E)-2-heptadecenoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C(=C/CCCCCCCCCCCCCC)\C(O)=O</smiles> <smiles>C(=C/CCCCCCCCCCCCCC)\C(O)=O</smiles> is A heptadecenoic acid in which the olefinic double bond is at the 2-3 position. It is also related to or classified as heptadecenoic acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (2E)-octadec-2-enoic acid in which the 17-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is trans-octadec-2-enoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is nonadecanoic acid in which the 18-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is nonadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is octadecanoic acid (stearic acid) in which the 17-pro-R hydrogen is replaced by a hydroxy group. It is also related to or classified as hydroxyoctadecanoic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is heptadecanoic acid in which the 16-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is heptadecanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is nonadecanoic acid which has been dehydrogenated to introduce a double bond with E configuration between positions 2 and 3 and in which the pro-R hydrogen at position 17 has been replaced by a hydroxy group.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is trans-2-icosenoic acid in which the pro-R hydrogen at position 19 has been replaced by a hydroxy group. Its functional parent is trans-2-icosenoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (E)-hexadec-2-enoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (E)-hexadec-2-enoic acid .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCC(O)=O</smiles> <smiles>C[C@@H](O)CCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is valeric acid in which the 4-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is valeric acid . It is also related to or classified as short-chain fatty acid  . It is also related to or classified as 4-hydroxy monocarboxylic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCCNCCCN12</smiles> <smiles>CC[C@H](O)[C@@H]1CC=C[C@@H]2CC(=O)NCCCCNCCCN12</smiles> is Palustrine. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .


The molecule <smiles>CCCC\C=C/CCCCCCCC(=O)CC(=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>CCCC\C=C/CCCCCCCC(=O)CC(=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 monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (11Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3. It is also related to or classified as hexadecenoyl-CoA(4-)  . It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as (11Z)-Delta(11)-fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A 20-hydroxyhenicosanoic acid that has R configuration. It is also related to or classified as 20-hydroxyhenicosanoic acid  .


The molecule <smiles>CCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>CCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an icosenoic acid in which the double bond is at the 2-3 position and has E configuration. It is also related to or classified as icosenoic acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O</smiles> <smiles>C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is henicosanoic acid in which a double bond with E configuration has been introduced at the 2-3 position and in which the pro-R hydrogen at position 20 has been replaced by a hydroxy group.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , (omega-1)-hydroxy fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCCCCCCCCCCC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is arachidic acid acid in which the 19-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is icosanoic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (omega-1)-hydroxy fatty acid .


The molecule <smiles>CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1</smiles> <smiles>CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])cc2)cc1</smiles> is A member of the class of stilbenoids in which the para-hydrogens of stilbene are replaced by methylamino and 2-{2-[2-((18)F)fluoroethoxy]ethoxy}ethoxy) groups. A positron emission tomography imaging ligand for the detection of amyloid aggregation associated with Alzheimer disease. It has the role of radioactive imaging agent .   It is also related to or classified as polyether  . It is also related to or classified as stilbenoid , aromatic ether , substituted aniline , (18)F radiopharmaceutical , secondary amino compound .


The molecule <smiles>C[C@H](CC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,6R)-6-hydroxyhept-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#7 . Its functional parent is (2E,6R)-6-hydroxyhept-2-enoic acid . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)[C@H](O)C=C2C1</smiles> <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)[C@H](O)C=C2C1</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of 3alpha-hydroxy-3,5-dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2</smiles> <smiles>OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2</smiles> is A quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively. It has the role of muscarinic antagonist . It is also related to or classified as quaternary ammonium ion  .


The molecule <smiles>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12</smiles> <smiles>CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of mevinolinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>CCC(=O)NC[C@@H]1C[C@H]1c1cccc2OCCc12</smiles> <smiles>CCC(=O)NC[C@@H]1C[C@H]1c1cccc2OCCc12</smiles> is A member of the class of 1-benzofurans that is propionamide in which one of the amide hydrogens is replaced by a [(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl group. A melatonin receptor agonist used for the treatment of non-24-hour sleep-wake disorder. It has the role of melatonin receptor agonist . Its functional parent is propionamide . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 1-benzofurans , cyclopropanes .


The molecule <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)C=CC2=C1</smiles> <smiles>C[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)C=CC2=C1</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1</smiles> <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1</smiles> is A polyketide that is monacolin L bearing an additional hydroxy substituent at position 8. It has the role of antimicrobial agent . It has the role of EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor . It has the role of fungal metabolite . Its functional parent is monacolin L .  It is also related to or classified as polyketide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as hexahydronaphthalenes , 2-pyranones , carbobicyclic compound .


The molecule <smiles>NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is A thioadenosine that is adenosine in which the hydroxy group at C-5' is replaced by a 3-aminopropyl group. It is also related to or classified as organic sulfide  . It is also related to or classified as thioadenosine , primary amino compound .


The molecule <smiles>CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C</smiles> <smiles>CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C</smiles> is A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of isobutanol. It has the role of teratogenic agent . It has the role of PPAR modulator . It has the role of plasticiser . Its functional parent is isobutanol .  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .


The molecule <smiles>C[C@H](CCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,9R)-9-hydroxydec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#15 . Its functional parent is (2E,9R)-9-hydroxydec-2-enoic acid . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C\C(\C=C\C=C(/C)\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)C([O-])=O</smiles> <smiles>C\C(\C=C\C=C(/C)\C=C\C=C(/C)C([O-])=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)C([O-])=O</smiles> is A dicarboxylic acid dianion derived from 4,4'-diapolycopen-4,4'-dioic acid. Major structure at pH 7.3,. It is also related to or classified as polyunsaturated dicarboxylic acid dianion  .


The molecule <smiles>C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(Cl)cc12</smiles> <smiles>C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccc(Cl)cc12</smiles> is A member of the class of piperazines that is (R)-2-methylpiperazine in which the two amino hydrogens at positions 1 and 4 are replaced by 5-cyanopyridin-2-yl and 4-benzyl-7-chlorophthalazin-1-yl groups respectively. It has the role of EC 4.1.2.27 (sphinganine-1-phosphate aldolase) inhibitor .  It is also related to or classified as organochlorine compound  . It is also related to or classified as cyanopyridine , phthalazines , N-arylpiperazine .


The molecule <smiles>OC[C@H]1O[C@@H](Oc2ccc(\C=C\C([O-])=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> <smiles>OC[C@H]1O[C@@H](Oc2ccc(\C=C\C([O-])=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A 4-O-beta-D-glucosyl-4-coumarate in which the double bond has trans-configuration. It is also related to or classified as 4-O-beta-D-glucosyl-4-coumarate  .


The molecule <smiles>C[C@H](CCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (7R)-7-hydroxyoctanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#14 . Its functional parent is (7R)-7-hydroxyoctanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from  (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,8R)-8-hydroxynon-2-enoic acid . Its functional parent is ascr#3 . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>[Br-].OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2</smiles> <smiles>[Br-].OC(c1ccccc1)(c1ccccc1)[C@]12CC[N@+](CCOCc3ccccc3)(CC1)CC2</smiles> is A quaternary ammonium salt that is the bromide salt of umeclidinium. Used in combination with vilanterol for long-term maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has the role of muscarinic antagonist . It is also related to or classified as quaternary ammonium salt , organic bromide salt .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](N)C(O)=O)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@H](N)C(O)=O)C([O-])=O</smiles> is A L-histidine derivative which is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria. It has the role of fungal metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as ammonium betaine , L-cysteine derivative , L-histidine derivative .


The molecule <smiles>[Br-].[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@]([H])(OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)[N+]1(C)CCCCC1</smiles> <smiles>[Br-].[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@]([H])(OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)[N+]1(C)CCCCC1</smiles> is A bromide salt consisting of two bromide ions and one pancuronium dication. It has the role of cholinergic antagonist . It has the role of nicotinic antagonist . It has the role of muscle relaxant . It is also related to or classified as bromide salt .


The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C=O</smiles> <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C=O</smiles> is an apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been oxidised to the corresponding aldehyde.  It is also related to or classified as enal  . It is also related to or classified as apo carotenoid triterpenoid .


The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C([O-])=O</smiles> <smiles>CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)C([O-])=O</smiles> is A monocarboxylic acid anion that is the conjugate base of 4,4'-diaponeurosporenoic acid, obtained by deprotonation of the carboxy group. Major structure at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .


The molecule <smiles>COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1</smiles> <smiles>COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1</smiles> is A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9). It has the role of antineoplastic agent . It has the role of plant metabolite . It has the role of EC 3.4.24.35 (gelatinase B) inhibitor . Its functional parent is 5,7-dihydroxy-4'-methoxyflavone . It is also related to or classified as aromatic ether , biflavonoid .


The molecule <smiles>[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> is A steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 17 via a glycosidic linkage. Its functional parent is 17beta-estradiol . It is a conjugate acid of 17beta-estradiol 17-glucosiduronate . It is also related to or classified as steroid glucosiduronic acid , 3-hydroxy steroid .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH][c](=[Se])[nH]1)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH][c](=[Se])[nH]1)C([O-])=O</smiles> is A histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood. It has the role of antioxidant . It has the role of marine metabolite . It has the role of fungal metabolite . It is also related to or classified as amino-acid betaine , L-histidine derivative .


The molecule <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)C=CC2=C1</smiles> <smiles>C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H](C)C=CC2=C1</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin J acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy monocarboxylic acid anion .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c1O</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c1O</smiles> is A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity. It has the role of antioxidant . It has the role of hypoglycemic agent . It has the role of EC 1.17.3.2 (xanthine oxidase) inhibitor . It has the role of plant metabolite .  It is also related to or classified as polyketide  .  It is also related to or classified as catechols  . It is also related to or classified as C-glycosyl compound , polyphenol , dihydrochalcones .


The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2occ(-c3ccc(O)cc3)c(=O)c2c1O</smiles> <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2occ(-c3ccc(O)cc3)c(=O)c2c1O</smiles> is paniculatin. It has the role of plant metabolite . Its functional parent is isoflavone . It is also related to or classified as C-glycosyl compound , hydroxyisoflavone .


The molecule <smiles>C[C@H](CCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (10R)-10-hydroxyundecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#18 . Its functional parent is (10R)-10-hydroxyundecanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](N)C(O)=O)n1)C([O-])=O</smiles> <smiles>C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](N)C(O)=O)n1)C([O-])=O</smiles> is A L-histidine derivative which is an intermediate in the synthesis of selenoneine, a compound found in certain fungi and mycobacteria. It has the role of fungal metabolite . It is also related to or classified as selenoamino acid , ammonium betaine , L-histidine derivative .


The molecule <smiles>C[C@H](CCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,12R)-12-hydroxytridec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#21 . Its functional parent is (2E,12R)-12-hydroxytridec-2-enoic acid . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1</smiles> <smiles>Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1</smiles> is A member of the class of imidazoles that is 1H-imidazole in which the hydrogens at positions 2, 4, and 5 are replaced by 4-hydroxyphenyl, pyridin-4-yl, and 4-fluorophenyl groups, respectively. It is a widely used inhibitor of mitogen-activated protein kinase (MAPK) alpha and beta. It has the role of apoptosis inducer . It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor .   It is also related to or classified as phenols  . It is also related to or classified as organofluorine compound  . It is also related to or classified as imidazoles , pyridines .


The molecule <smiles>C[C@H](CCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,10R)-10-hydroxyundec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#17 . Its functional parent is (2E,10R)-10-hydroxyundec-2-enoic acid . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@H](CCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (9R)-9-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#16 . Its functional parent is (9R)-9-hydroxydecanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>O=[Ce]=O</smiles> <smiles>O=[Ce]=O</smiles> is A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis. It is also related to or classified as metal oxide , cerium molecular entity .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-9-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-9-hydroxynon-2-enoic acid . Its functional parent is oscr#3 . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A  sialoheptaosylceramide consisting of a branched octasaccharide made up from one sialyl residue, three galactose residues, two N-acetylgalactosamine residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. It is also related to or classified as sialoheptaosylceramide .


The molecule <smiles>C[C@H](CCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (12R)-12-hydroxytridecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#22 . Its functional parent is (12R)-12-hydroxytridecanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCC\C=C\C(O)=O</smiles> is A monounsaturated fatty acid that is (2E)-non-2-enoic acid in which one of the hydrogens at position 9 is replaced by a hydroxy group.  It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@H](CCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@H](CCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,11R)-11-hydroxydodec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#19 . Its functional parent is (2E,11R)-11-hydroxydodec-2-enoic acid . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sialohexaosylceramide consisting of a branched heptasaccharide made up from one sialyl residue, two galactose residues, two N-acetylgalactosamine residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. It is also related to or classified as sialohexaosylceramide .


The molecule <smiles>OCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-undec-2-enoic acid in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group. Its functional parent is trans-undec-2-enoic acid .  It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>[H][C@@](O)(CO)[C@@]([H])(O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@]([H])(O)[C@@]([H])(O)C=O</smiles> <smiles>[H][C@@](O)(CO)[C@@]([H])(O[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@]([H])(O)[C@@]([H])(O)C=O</smiles> is A trisaccharide composed of D-glucopyranose units. It has the role of plant metabolite . It is also related to or classified as trisaccharide .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 11-hydroxyundecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 11-hydroxyundecanoic acid . Its functional parent is oscr#18 . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. Its functional parent is undecanoic acid . It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as straight-chain fatty acid .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 10-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 10-hydroxycapric acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>C\C=C(/C)C(=O)OC1CC(O)C(OC(C)CCCCCCC(O)=O)OC1C</smiles> <smiles>C\C=C(/C)C(=O)OC1CC(O)C(OC(C)CCCCCCC(O)=O)OC1C</smiles> is A 4-O-[(E)-2-methyl-2-butenoyl]ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#10 . Its functional parent is (8R)-8-hydroxynonanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-[(E)-2-methyl-2-butenoyl]ascaroside .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 7-hydroxyheptanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 7-hydroxyheptanoic acid . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 5-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 5-hydroxypentanoic acid . Its functional parent is oscr#9 . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-dodecenoic acid in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group. Its functional parent is trans-2-dodecenoic acid .  It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C\C=C(/C)C(=O)O[C@@H]1C[C@@H](O)[C@H](O[C@H](C)CCCC\C=C\C(O)=O)O[C@H]1C</smiles> <smiles>C\C=C(/C)C(=O)O[C@@H]1C[C@@H](O)[C@H](O[C@H](C)CCCC\C=C\C(O)=O)O[C@H]1C</smiles> is A 4-O-[(E)-2-methyl-2-butenoyl]ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E,8R)-8-hydroxynon-2-enoic acid . Its functional parent is ascr#3 . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-[(E)-2-methyl-2-butenoyl]ascaroside .


The molecule <smiles>OCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-tetradecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is trans-2-tetradecenoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-11-hydroxyundec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-11-hydroxyundec-2-enoic acid . Its functional parent is oscr#17 . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid that is pentadecanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is pentadecanoic acid . It is a conjugate acid of 15-hydroxypentadecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .


The molecule <smiles>OCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-hexadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is (E)-hexadec-2-enoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 9-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 9-hydroxynonanoic acid . Its functional parent is oscr#10 . It is also related to or classified as monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-pentadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is trans-2-pentadecenoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>OCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is (2E)-2-heptadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is (2E)-2-heptadecenoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>OCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid that is tridecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. Its functional parent is tridecanoic acid . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .


The molecule <smiles>OCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is 19-hydroxynonadecanoic acid which has been dehydrogenated to introduce a trans double bond at the 2-3 position.  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>COc1cc(C)c2ccc(O)c(C(O)=O)c2c1</smiles> <smiles>COc1cc(C)c2ccc(O)c(C(O)=O)c2c1</smiles> is A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively. It has the role of bacterial metabolite . It is also related to or classified as naphthols , naphthoic acid , methoxynaphthalene .


The molecule <smiles>OCCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-icosenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is trans-2-icosenoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> is A (2'->5')-dinucleotide made up from guanosine-5'-triphosphate and adenosine-5'-monophosphate residues. It is also related to or classified as guanosine bisphosphate , (2'->5')-dinucleotide .


The molecule <smiles>OCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is tridecanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position and in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group.  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>OCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-octadec-2-enoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is trans-octadec-2-enoic acid .  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>OCCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid that is nonadecanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is nonadecanoic acid . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as straight-chain saturated fatty acid .


The molecule <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H]([NH3+])c1ccccc1</smiles> <smiles>CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H]([NH3+])c1ccccc1</smiles> is an acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of (3R)-3-ammonio-3-phenylpropanoyl-CoA(3-). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as acyl-CoA oxoanion .


The molecule <smiles>OCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid that is heptadecanoic acid (margaric acid) in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. Its functional parent is heptadecanoic acid . It is also related to or classified as omega-hydroxy-long-chain fatty acid  .


The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> <smiles>C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-10-hydroxydec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (E)-10-hydroxydec-2-enoic acid . Its functional parent is oscr#15 . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , 4-O-(1H-indol-3-ylcarbonyl)ascaroside , omega-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCC\C=C\C(O)=O</smiles> <smiles>OCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is trans-2-heptenoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.  It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>OC(=O)CC[C@H]1[C@@H]2CCC(=O)[C@H]2CCC1=O</smiles> <smiles>OC(=O)CC[C@H]1[C@@H]2CCC(=O)[C@H]2CCC1=O</smiles> is A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5 and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer). It has the role of bacterial metabolite .   It is also related to or classified as diketone  . It is also related to or classified as dioxo monocarboxylic acid , carbobicyclic compound .


The molecule <smiles>CCCCC[C@H](O)CC\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O</smiles> <smiles>CCCCC[C@H](O)CC\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(O)=O</smiles> is A trienoic fatty acid obtained by formal hydrogenation across the 13,14-double bond of lipoxin A4. It has the role of human metabolite .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as icosanoid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , trienoic fatty acid .


The molecule <smiles>C[C@H](CCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#1 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is ascr#1 . It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> <smiles>C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O</smiles> is 17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid). Its functional parent is 17beta-estradiol . It is also related to or classified as steroid sulfate , steroid glucosiduronic acid .


The molecule <smiles>CCC1(C)OC(=O)N(C)C1=O</smiles> <smiles>CCC1(C)OC(=O)N(C)C1=O</smiles> is paramethadione. It has the role of anticonvulsant . Its functional parent is 5-ethyl-5-methyl-1,3-oxazolidine-2,4-dione . It is also related to or classified as oxazolidinone .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the (omega-1)-hydroxy group of (3R,22R)-3,22-dihydroxytricosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (3R,22R)-3,22-dihydroxytricosanoic acid . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>OCCCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCC\C=C\C(O)=O</smiles> is an omega-hydroxy fatty acid that is 21-hydroxyhenicosanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position.  It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .


The molecule <smiles>C[C@@H](O)CCCCCCCCC[C@@H](O)CC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCCCC[C@@H](O)CC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (13R)-13-hydroxymyristic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (13R)-13-hydroxymyristic acid . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as dihydroxy monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>C[C@@H](O)CCCCC[C@@H](O)CC(O)=O</smiles> <smiles>C[C@@H](O)CCCCC[C@@H](O)CC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (9R)-9-hydroxydecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (9R)-9-hydroxydecanoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as dihydroxy monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>[C@@]12([C@@](C(CC1)=O)(CCC([C@H]2CCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]3O[C@@H](N4C5=C(C(=NC=N5)N)N=C4)[C@@H]([C@@H]3OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O)C)[H]</smiles> <smiles>[C@@]12([C@@](C(CC1)=O)(CCC([C@H]2CCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]3O[C@@H](N4C5=C(C(=NC=N5)N)N=C4)[C@@H]([C@@H]3OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O)C)[H]</smiles> is an acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid. Its functional parent is 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid . It is also related to or classified as acyl-CoA  .


The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> <smiles>C[C@H](CCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the (omega-1)-hydroxy group of (3R,21R)-3,21-dihydroxydocosanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (3R,21R)-3,21-dihydroxybehenic acid . It is also related to or classified as monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid ascaroside .


The molecule <smiles>C[C@@H](O)CCCCCCC[C@@H](O)CC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCCC[C@@H](O)CC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (11R)-11-hydroxylauric acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (11R)-11-hydroxylauric acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as dihydroxy monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid .


The molecule <smiles>OCCCCCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy-long-chain fatty acid that is octadecanoic (stearic) acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group. It has the role of apoptosis inducer . It is a conjugate acid of 18-hydroxyoctadecanoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid  . It is also related to or classified as hydroxyoctadecanoic acid .


The molecule <smiles>C[C@@H](O)CCCCCC[C@@H](O)CC(O)=O</smiles> <smiles>C[C@@H](O)CCCCCC[C@@H](O)CC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (10R)-10-hydroxyundecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (10R)-10-hydroxyundecanoic acid .  It is also related to or classified as medium-chain fatty acid  . It is also related to or classified as dihydroxy monocarboxylic acid , 3-hydroxy carboxylic acid , (omega-1)-hydroxy fatty acid .