1.0 2010-04-08 22:08:05 UTC 2019-11-26 03:02:37 UTC FDB008436 Methyl 7-epi-12-hydroxyjasmonate glucoside Isolated from potato leaves (Solanum tuberosum) and Jerusalen artichoke (Helianthus tuberosus). Methyl 7-epi-12-hydroxyjasmonate glucoside is found in root vegetables and potato. Methyl 7-epi-12-hydroxyjasmonate glucoside C19H30O9 402.4361 402.188982558 methyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate methyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate 142465-56-3 COC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O InChI=1S/C19H30O9/c1-26-15(22)9-11-6-7-13(21)12(11)5-3-2-4-8-27-19-18(25)17(24)16(23)14(10-20)28-19/h2-3,11-12,14,16-20,23-25H,4-10H2,1H3/b3-2+ AJWIFVNLXHFTFD-NSCUHMNNSA-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 Cyclic ketones Hexoses Hydrocarbon derivatives Jasmonic acids Methyl esters Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Jasmonic acid Ketone 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 logp 0.16 ALOGPS logs -2.16 ALOGPS solubility 2.76e+00 g/l ALOGPS logp -0.65 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac methyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate ChemAxon average_mass 402.4361 ChemAxon mono_mass 402.188982558 ChemAxon smiles COC(=O)CC1CCC(=O)C1C\C=C\CCOC1OC(CO)C(O)C(O)C1O ChemAxon formula C19H30O9 ChemAxon inchi InChI=1S/C19H30O9/c1-26-15(22)9-11-6-7-13(21)12(11)5-3-2-4-8-27-19-18(25)17(24)16(23)14(10-20)28-19/h2-3,11-12,14,16-20,23-25H,4-10H2,1H3/b3-2+ ChemAxon inchikey AJWIFVNLXHFTFD-NSCUHMNNSA-N ChemAxon polar_surface_area 142.75 ChemAxon refractivity 97.67 ChemAxon polarizability 41.85 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51570 Specdb::MsMs 51571 Specdb::MsMs 51572 Specdb::MsMs 169062 Specdb::MsMs 169063 Specdb::MsMs 169064 Specdb::MsMs 2832252 Specdb::MsMs 2832253 Specdb::MsMs 2832254 Specdb::MsMs 2850184 Specdb::MsMs 2850185 Specdb::MsMs 2850186 Specdb::NmrOneD 111518 Specdb::NmrOneD 111519 Specdb::NmrOneD 111520 Specdb::NmrOneD 111521 Specdb::NmrOneD 111522 Specdb::NmrOneD 111523 Specdb::NmrOneD 111524 Specdb::NmrOneD 111525 Specdb::NmrOneD 111526 Specdb::NmrOneD 111527 Specdb::NmrOneD 111528 Specdb::NmrOneD 111529 Specdb::NmrOneD 111530 Specdb::NmrOneD 111531 Specdb::NmrOneD 111532 Specdb::NmrOneD 111533 Specdb::NmrOneD 111534 Specdb::NmrOneD 111535 Specdb::NmrOneD 111536 Specdb::NmrOneD 111537 Specdb::CMs 18187 Specdb::CMs 42614 Specdb::CMs 168726 HMDB31763 #<Reference:0x000055ce324cdd70> Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic