1.02010-04-08 22:10:31 UTC2019-11-26 03:07:56 UTCFDB013073HouttuyninIsolated from Houttuynia cordata (Yu Xing Cao). Houttuynin is found in herbs and spices.3-oxo-DodecanalDecanol acetaldehydeDecanoyl acetaldehydeDecanoylacetaldehydeDodecanal, 3-oxo-HouttuyninHouttuynineC14H26O2226.355226.1932800763-oxotetradecanal3-oxotetradecanal56505-80-7CCCCCCCCCCCC(=O)CC=OInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3XLYLQUQHYUOPIW-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms.Fatty aldehydesOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty aldehydesAliphatic acyclic compounds1,3-dicarbonyl compoundsAlpha-hydrogen aldehydesBeta ketoaldehydesHydrocarbon derivativesKetonesOrganic oxides1,3-dicarbonyl compoundAldehydeAliphatic acyclic compoundAlpha-hydrogen aldehydeBeta-ketoaldehydeCarbonyl groupFatty aldehydeHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundFatty aldehydesLiquidlogp5.10logs-4.97solubility2.45e-03 g/lmelting_pointMp 6-8°logp4.54pka_strongest_acidic7.14pka_strongest_basic-7iupac3-oxotetradecanalaverage_mass226.355mono_mass226.193280076smilesCCCCCCCCCCCC(=O)CC=OformulaC14H26O2inchiInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13H,2-12H2,1H3inchikeyXLYLQUQHYUOPIW-UHFFFAOYSA-Npolar_surface_area34.14refractivity67.65polarizability29.01rotatable_bond_count12acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs25109Specdb::CMs137089Specdb::CMs144823Specdb::MsMs105702Specdb::MsMs105703Specdb::MsMs105704Specdb::MsMs172251Specdb::MsMs172252Specdb::MsMs172253Specdb::MsMs2666485Specdb::MsMs2666486Specdb::MsMs2666487Specdb::MsMs3012905Specdb::MsMs3012906Specdb::MsMs3012907HMDB34561#<Reference:0x0000555675ef7ee8>Herbs and SpicesUnknowngeneric