1.0 2010-04-08 22:14:14 UTC 2019-11-26 03:17:20 UTC FDB019264 Abscisic alcohol 11-glucoside Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside Abscisic alcohol 11-O-b-D-glucopyranoside Abscisic alcohol 11-O-b-D-glucoside C21H32O8 412.474 412.209718 4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl]cyclohex-2-en-1-one 4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl]cyclohex-2-en-1-one 145153-00-0 C\C(=C/COC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+ PMGQCIZHFNQTAO-YTEPGLGFSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Cyclohexenones Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Cyclic ketone Cyclofarsesane sesquiterpenoid Cyclohexenone Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol logp 0.13 ALOGPS logs -2.60 ALOGPS solubility 1.04e+00 g/l ALOGPS logp 0.0022 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}penta-1,3-dien-1-yl]cyclohex-2-en-1-one ChemAxon average_mass 412.474 ChemAxon mono_mass 412.209718 ChemAxon smiles C\C(=C/COC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C ChemAxon formula C21H32O8 ChemAxon inchi InChI=1S/C21H32O8/c1-12(5-7-21(27)13(2)9-14(23)10-20(21,3)4)6-8-28-19-18(26)17(25)16(24)15(11-22)29-19/h5-7,9,15-19,22,24-27H,8,10-11H2,1-4H3/b7-5+,12-6+ ChemAxon inchikey PMGQCIZHFNQTAO-YTEPGLGFSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 107.52 ChemAxon polarizability 44.09 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78459 Specdb::MsMs 78460 Specdb::MsMs 78461 Specdb::MsMs 138810 Specdb::MsMs 138811 Specdb::MsMs 138812 Specdb::MsMs 2437375 Specdb::MsMs 2437376 Specdb::MsMs 2437377 Specdb::MsMs 2529066 Specdb::MsMs 2529067 Specdb::MsMs 2529068 Specdb::CMs 22217 Specdb::CMs 46498 Specdb::CMs 166093 HMDB39636 #<Reference:0x000055ce31c61f38> Fruits Unknown generic