1.0 2010-04-08 22:09:29 UTC 2019-11-26 03:04:37 UTC FDB011155 (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside Constituent of potato tubers infected with Phoma foveata and Fusarium subspecies (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato. (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-O-b-D-glucopyranoside (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-O-b-D-glucoside C21H34O8 414.4899 414.225368064 2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one 2-(1-hydroxy-2-{[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)(CO)OC1OC(CO)C(O)C(O)C1O InChI=1S/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3 UQEPDFZSKJICHS-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 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 logp -0.56 ALOGPS logs -2.29 ALOGPS solubility 2.12e+00 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(1-hydroxy-2-{[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)(CO)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C21H34O8 ChemAxon inchi InChI=1S/C21H34O8/c1-11-6-14(24)7-12(2)21(11)5-4-13(8-21)20(3,10-23)29-19-18(27)17(26)16(25)15(9-22)28-19/h6,12-13,15-19,22-23,25-27H,4-5,7-10H2,1-3H3 ChemAxon inchikey UQEPDFZSKJICHS-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 104.01 ChemAxon polarizability 43.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54327 Specdb::MsMs 54328 Specdb::MsMs 54329 Specdb::MsMs 126822 Specdb::MsMs 126823 Specdb::MsMs 126824 Specdb::MsMs 2758539 Specdb::MsMs 2758540 Specdb::MsMs 2758541 Specdb::MsMs 2950662 Specdb::MsMs 2950663 Specdb::MsMs 2950664 Specdb::CMs 17290 Specdb::CMs 43120 Specdb::CMs 172593 Specdb::NmrOneD 118358 Specdb::NmrOneD 118359 Specdb::NmrOneD 118360 Specdb::NmrOneD 118361 Specdb::NmrOneD 118362 Specdb::NmrOneD 118363 Specdb::NmrOneD 118364 Specdb::NmrOneD 118365 Specdb::NmrOneD 118366 Specdb::NmrOneD 118367 Specdb::NmrOneD 118368 Specdb::NmrOneD 118369 Specdb::NmrOneD 118370 Specdb::NmrOneD 118371 Specdb::NmrOneD 118372 Specdb::NmrOneD 118373 Specdb::NmrOneD 118374 Specdb::NmrOneD 118375 Specdb::NmrOneD 118376 Specdb::NmrOneD 118377 HMDB33150 #<Reference:0x000055ce31e83b68> Potato Type 1 specific Solanum tuberosum 4113