1.02010-04-08 22:11:44 UTC2018-05-29 01:17:46 UTCFDB015258xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-oneFound in numerous cooked or stored foods such as cooked vegetables, bread crust, caramelised sugar products and dehydrated orange juice powder. Intermed. production in Maillard reaction; formed in non-enzymic browning reactions; synth. from aldohexoses and secondary aminesC7H10O4158.1519158.0579088083-hydroxy-5-methoxy-6-methyl-3,4-dihydro-2H-pyran-4-one5-hydroxy-3-methoxy-2-methyl-5,6-dihydropyran-4-oneCOC1=C(C)OCC(O)C1=OInChI=1S/C7H10O4/c1-4-7(10-2)6(9)5(8)3-11-4/h5,8H,3H2,1-2H3JOWYHBUWSWRYOG-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.DihydropyranonesOrganic compoundsOrganoheterocyclic compoundsPyransPyranones and derivativesAliphatic heteromonocyclic compoundsCyclic ketonesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsSecondary alcoholsVinylogous estersAlcoholAliphatic heteromonocyclic compoundCarbonyl groupCyclic ketoneDihydropyranoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleSecondary alcoholVinylogous esterlogp-0.61logs0.34solubility3.50e+02 g/llogp-0.73pka_strongest_acidic12.51pka_strongest_basic-3.9iupac3-hydroxy-5-methoxy-6-methyl-3,4-dihydro-2H-pyran-4-oneaverage_mass158.1519mono_mass158.057908808smilesCOC1=C(C)OCC(O)C1=OformulaC7H10O4inchiInChI=1S/C7H10O4/c1-4-7(10-2)6(9)5(8)3-11-4/h5,8H,3H2,1-2H3inchikeyJOWYHBUWSWRYOG-UHFFFAOYSA-Npolar_surface_area55.76refractivity39.59polarizability15.08rotatable_bond_count1acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::MsIr7246Specdb::MsIr7247Specdb::MsIr7248Specdb::NmrOneD136030Specdb::NmrOneD136031Specdb::NmrOneD136032Specdb::NmrOneD136033Specdb::NmrOneD136034Specdb::NmrOneD136035Specdb::NmrOneD136036Specdb::NmrOneD136037Specdb::NmrOneD136038Specdb::NmrOneD136039Specdb::NmrOneD136040Specdb::NmrOneD136041Specdb::NmrOneD136042Specdb::NmrOneD136043Specdb::NmrOneD136044Specdb::NmrOneD136045Specdb::NmrOneD136046Specdb::NmrOneD136047Specdb::NmrOneD136048Specdb::NmrOneD136049Specdb::CMs18068Specdb::CMs44844Specdb::CMs137390Specdb::CMs145124Specdb::MsMs6734Specdb::MsMs6735Specdb::MsMs6736Specdb::MsMs13406Specdb::MsMs13407Specdb::MsMs13408Specdb::MsMs2450290Specdb::MsMs2450291Specdb::MsMs2450292Specdb::MsMs2488410Specdb::MsMs2488411Specdb::MsMs2488412HMDB36380#<Reference:0x00005556755b5bc8>