mingxuzhang/ChEBI-Augmented huggingface dataset:
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> 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> 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> 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> 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> 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bond with E configuration has been introduced at the 2-3 position and in which the pro-R hydrogen at position 20 has been replaced by a hydroxy group.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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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> 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.