1.0 2010-04-08 22:15:13 UTC 2019-11-26 03:19:22 UTC FDB020731 Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside is found in root vegetables. Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate O-b-D-glucopyranoside Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate O-b-D-glucoside Methyl (R)-Helianthenate D glucoside C18H24O8 368.3784 368.147117744 methyl 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}undec-10-en-5,7-diynoate methyl 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}undec-10-en-5,7-diynoate 152141-44-1 COC(=O)CCCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3 XCRGUWJZEOHKGC-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Carbonyl compounds Fatty acid methyl esters Hexoses Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acid methyl ester Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sugar acid logp 0.46 ALOGPS logs -3.46 ALOGPS solubility 1.27e-01 g/l ALOGPS logp 0.2 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl 9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}undec-10-en-5,7-diynoate ChemAxon average_mass 368.3784 ChemAxon mono_mass 368.147117744 ChemAxon smiles COC(=O)CCCC#CC#CC(OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C18H24O8 ChemAxon inchi InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3 ChemAxon inchikey XCRGUWJZEOHKGC-UHFFFAOYSA-N ChemAxon polar_surface_area 125.68 ChemAxon refractivity 91.39 ChemAxon polarizability 39.03 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18633 Specdb::CMs 47016 Specdb::CMs 157961 Specdb::MsMs 307345 Specdb::MsMs 307346 Specdb::MsMs 307347 Specdb::MsMs 351277 Specdb::MsMs 351278 Specdb::MsMs 351279 Specdb::MsMs 2378362 Specdb::MsMs 2378363 Specdb::MsMs 2378364 Specdb::MsMs 2557494 Specdb::MsMs 2557495 Specdb::MsMs 2557496 HMDB40895 #<Reference:0x000055ce327cafc8> Root vegetables Unknown generic