mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>[O-][Cl](=O)(=O)=O.CCOC(=O)c1ccccc1-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C</smiles> is an organic perchlorate salt that has tetramethylrhodamine ethyl ester(1+) as the cation. It is used as a cell-permeant, cationic, red-orange fluorescent dye that is readily sequestered by active mitochondria. It has the role of reagent. It has the role of fluorochrome. It is also related to or classified as xanthene dye, organic perchlorate salt.
The molecule <smiles>C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-tetradecadienoic acid. It is a conjugate acid of (9Z,12Z)-tetradecadienoyl-CoA(4-). It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>CCCCCCCC\C=C/C\C=C/CCCCCCC(O)=O</smiles> is an icosadienoic acid in which the two double bonds have Z-geochemistry and are located at positions 8 and 11. It is a conjugate acid of (8Z,11Z)-icosadienoate(1-). It is also related to or classified as icosadienoic acid.
The molecule <smiles>CCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-heptadecadienoic acid. It is a conjugate acid of (9Z,12Z)-heptadecadienoyl-CoA(4-). It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>CCCCCCCC\C=C/C\C=C/CCCCC(O)=O</smiles> is an octadecadienoic acid in which the two double bonds have Z-geochemistry and are located at positions 6 and 9. It is a conjugate acid of (6Z,9Z)-octadecadienoate. It is also related to or classified as octadecadienoic acid.
The molecule <smiles>c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1</smiles> is A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. It is also related to or classified as biphenyls, imidazoles.
The molecule <smiles>Cc1nc(C)c(C)s1</smiles> is A 1,3-thiazole that is thiazole in which all three hydrogens are replaced by methyl groups. A Maillard reaction product, it is a flavour component in many cooked foods, including cooked meats and potatoes. It has the role of Maillard reaction product. It is also related to or classified as 1,3-thiazoles.
The molecule <smiles>CC(C)C[C@@H]1N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc2ccc(cc2)N2CCOCC2)OC1=O</smiles> is A cyclooctadepsipeptide consisting of  D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, N-methyl-L-leucyl, D-lactoyl, N-methyl-L-leucyl, 3-[4-(4-morpholinyl)phenyl]-D-lactoyl, and N-methyl-L-leucyl residues joined in sequence to give a 24-membered macrocycle. An anthelmintic, it is used with praziquantel for the treatment and control of hookworm, roundworm and tapeworm infections in cats. It has the role of antinematodal drug. It is also related to or classified as semisynthetic derivative, cyclooctadepsipeptide.
The molecule <smiles>CC(=O)C1=C(O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O</smiles> is A member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii. It has the role of antifungal agent. It has the role of phytotoxin. It has the role of fungal metabolite. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as polyphenol, dibenzofurans, methyl ketone.
The molecule <smiles>COc1cc(O)c2c(c1)occ(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c2=O</smiles> is A glycosyloxyisoflavone that is the 4'-O-beta-D-glucoside of prunetin. Its functional parent is prunetin. It is also related to or classified as 7-methoxyisoflavones . It is also related to or classified as hydroxyisoflavone, glycosyloxyisoflavone.
The molecule <smiles>NCCc1cc(O)c(O)cc1O</smiles> is A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). It has the role of drug metabolite. It has the role of neurotoxin. It has the role of human metabolite. Its functional parent is dopamine.  It is also related to or classified as catecholamine . It is also related to or classified as benzenetriol, primary amino compound.
The molecule <smiles>C[C@H](CCCCCCCCCC(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 (11R)-11-hydroxylauric acid.  It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#20. Its functional parent is (11R)-11-hydroxylauric 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>NCCSSCCN</smiles> is an organic disulfide obtgained by oxidative dimerisation of cysteamine. It has the role of EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. Its functional parent is cysteamine. It is also related to or classified as organic disulfide . It is also related to or classified as primary amino compound.
The molecule <smiles>CCOC(=O)c1ccccc1-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C</smiles> is an organic cation resulting from the conversion of the carboxylate group of  tetramethylrhodamine to the corresponding ethyl ester. It has the role of fluorochrome. Its functional parent is tetramethylrhodamine. It is also related to or classified as organic cation, xanthene dye.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol; major species at pH 7.3. It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol in which the 1-acyl group is specified as oleoyl. It has the role of human metabolite. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol(1-). It is also related to or classified as 1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol .
The molecule <smiles>C[C@H](CCCN(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an aza-steroid that is 5beta-cholestane in which the carbon at position 25 is replaced by a nitrogen. It inhibits sitosterol-to-cholesterol conversion in Caenorhabditis elegans. It has the role of EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor. It is also related to or classified as tertiary amine . It is also related to or classified as aza-steroid .
The molecule <smiles>CCCCCCCC\C=C/C\C=C/CCCCC([O-])=O</smiles> is an octadecadienoate obtained by deprotonation of the carboxy group of (6Z,9Z)-octadecadienoic acid; major species at pH 7.3. It is also related to or classified as octadecadienoate .
The molecule <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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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.