1.0 2010-04-08 22:14:28 UTC 2019-11-26 03:17:43 UTC FDB019627 11-Hydroxyjasmonic acid glucoside Constituent of Solanum tuberosum (potato). 11-Hydroxyjasmonic acid glucoside is found in potato. 11-Hydroxyjasmonic acid glucoside b-D-Glucopyranosyl-11-hydroxyjasmonic acid C18H28O9 388.4095 388.173332494 2-{3-oxo-2-[(2E)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetic acid {3-oxo-2-[(2E)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetic acid 13283-31-3 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\CC1C(CC(O)=O)CCC1=O InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+ LAYQBSCEPAXXNJ-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 Carboxylic acids Cyclic ketones Hexoses Hydrocarbon derivatives Jasmonic acids 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 Carboxylic acid derivative Cyclic ketone Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Jasmonic acid Ketone 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 -0.69 ALOGPS logs -1.93 ALOGPS solubility 4.51e+00 g/l ALOGPS logp -0.67 ChemAxon pka_strongest_acidic 4.39 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{3-oxo-2-[(2E)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetic acid ChemAxon average_mass 388.4095 ChemAxon mono_mass 388.173332494 ChemAxon smiles CC(OC1OC(CO)C(O)C(O)C1O)\C=C\CC1C(CC(O)=O)CCC1=O ChemAxon formula C18H28O9 ChemAxon inchi InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+ ChemAxon inchikey LAYQBSCEPAXXNJ-NSCUHMNNSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 92.56 ChemAxon polarizability 39.56 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70494 Specdb::MsMs 70495 Specdb::MsMs 70496 Specdb::MsMs 129009 Specdb::MsMs 129010 Specdb::MsMs 129011 Specdb::MsMs 2789269 Specdb::MsMs 2789270 Specdb::MsMs 2789271 Specdb::MsMs 2919245 Specdb::MsMs 2919246 Specdb::MsMs 2919247 Specdb::CMs 24656 Specdb::CMs 46662 Specdb::CMs 158323 Specdb::NmrOneD 37382 Specdb::NmrOneD 37383 Specdb::NmrOneD 37384 Specdb::NmrOneD 37385 Specdb::NmrOneD 37386 Specdb::NmrOneD 37387 Specdb::NmrOneD 37388 Specdb::NmrOneD 37389 Specdb::NmrOneD 37390 Specdb::NmrOneD 37391 Specdb::NmrOneD 37392 Specdb::NmrOneD 37393 Specdb::NmrOneD 37394 Specdb::NmrOneD 37395 Specdb::NmrOneD 37396 Specdb::NmrOneD 37397 Specdb::NmrOneD 37398 Specdb::NmrOneD 37399 Specdb::NmrOneD 37400 Specdb::NmrOneD 37401 HMDB39964 #<Reference:0x000055ce30953a90> Potato Type 1 specific Solanum tuberosum 4113