1.0 2010-04-08 22:05:33 UTC 2020-02-24 19:10:39 UTC FDB002859 (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside Isolated from potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-O-b-D-glucopyranoside C21H34O8 414.4899 414.225368064 2-(2-hydroxy-1-{[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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one 62574-29-2 CC1CC(=O)C=C(C)C11CCC(C1)C(C)(O)COC1OC(CO)C(O)C(O)C1O 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 FSQYQQPZIHCQMQ-UHFFFAOYSA-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-{[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)COC1OC(CO)C(O)C(O)C1O 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 ChemAxon inchikey FSQYQQPZIHCQMQ-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 104.01 ChemAxon polarizability 43.33 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20839 Specdb::CMs 42241 Specdb::CMs 130553 Specdb::CMs 138287 Specdb::MsMs 50169 Specdb::MsMs 50170 Specdb::MsMs 50171 Specdb::MsMs 173220 Specdb::MsMs 173221 Specdb::MsMs 173222 Specdb::MsMs 2424082 Specdb::MsMs 2424083 Specdb::MsMs 2424084 Specdb::MsMs 2514229 Specdb::MsMs 2514230 Specdb::MsMs 2514231 Specdb::NmrOneD 18042 Specdb::NmrOneD 18043 Specdb::NmrOneD 18044 Specdb::NmrOneD 18045 Specdb::NmrOneD 18046 Specdb::NmrOneD 18047 Specdb::NmrOneD 18048 Specdb::NmrOneD 18049 Specdb::NmrOneD 18050 Specdb::NmrOneD 18051 Specdb::NmrOneD 18052 Specdb::NmrOneD 18053 Specdb::NmrOneD 18054 Specdb::NmrOneD 18055 Specdb::NmrOneD 18056 Specdb::NmrOneD 18057 Specdb::NmrOneD 18058 Specdb::NmrOneD 18059 Specdb::NmrOneD 18060 Specdb::NmrOneD 18061 HMDB30895 #<Reference:0x000055ce31c23a58> Potato Type 1 specific Solanum tuberosum 4113