1.0 2010-04-08 22:07:26 UTC 2019-11-26 03:01:28 UTC FDB007072 2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one can be found in potato, which makes 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one a potential biomarker for the consumption of this food product. 2-(12-O-BETA-D-GLUCOSYL-11-HYDROXY-11-METHYL-ETHYL)-6,10-DIMETHYL-SPIRO-4,5)-DEC-6-EN-8-ONE C21H34O8 414.4899 414.225368064 2-(2-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one 2-(2-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3/t12?,13?,15-,16-,17+,18-,19-,20?,21?/m1/s1 FSQYQQPZIHCQMQ-PNDTZLCJSA-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 heteropolycyclic compounds Acetals Cyclohexenones Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Cyclohexenone 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 Spirovetivane-type sesquiterpenoid Terpene glycoside Tertiary alcohol logp -0.62 ALOGPS logs -2.31 ALOGPS solubility 2.04e+00 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(2-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one ChemAxon average_mass 414.4899 ChemAxon mono_mass 414.225368064 ChemAxon smiles CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C21H34O8 ChemAxon inchi InChI=1S/C21H34O8/c1-11-6-14(23)7-12(2)21(11)5-4-13(8-21)20(3,27)10-28-19-18(26)17(25)16(24)15(9-22)29-19/h6,12-13,15-19,22,24-27H,4-5,7-10H2,1-3H3/t12?,13?,15-,16-,17+,18-,19-,20?,21?/m1/s1 ChemAxon inchikey FSQYQQPZIHCQMQ-PNDTZLCJSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 104.01 ChemAxon polarizability 43.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81069 Specdb::MsMs 81070 Specdb::MsMs 81071 Specdb::MsMs 142098 Specdb::MsMs 142099 Specdb::MsMs 142100 Specdb::MsMs 3603593 Specdb::MsMs 3603594 Specdb::MsMs 3603595 Specdb::MsMs 3603596 Specdb::MsMs 3603597 Specdb::MsMs 3603598 Potato Type 1 specific Solanum tuberosum 4113