1.02010-04-08 22:13:51 UTC2019-11-26 03:16:28 UTCFDB018661Wyeronic acidIsolated from Vicia faba. Wyeronic acid is found in pulses.3-[5-(1-Oxo-4-hexen-2-ynyl)-2-furanyl]-2-propenoic acid, 9CIC13H10O4230.2161230.057908808(2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid(2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acid117783-52-5C\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=OInChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-DMVOIMZYBMLJHN-XKURDXHJSA-N belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.Furanoid fatty acidsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugatesAromatic heteromonocyclic compoundsAlpha,beta-unsaturated ketonesAryl ketonesCarboxylic acidsFuransHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAlpha,beta-unsaturated ketoneAromatic heteromonocyclic compoundAryl ketoneCarbonyl groupCarboxylic acidCarboxylic acid derivativeFuranFuranoid fatty acidHeteroaromatic compoundHydrocarbon derivativeKetoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclelogp2.58logs-3.82solubility3.49e-02 g/llogp2.44pka_strongest_acidic2.2pka_strongest_basic-4.4iupac(2Z)-3-{5-[(4E)-hex-4-en-2-ynoyl]furan-2-yl}prop-2-enoic acidaverage_mass230.2161mono_mass230.057908808smilesC\C=C\C#CC(=O)C1=CC=C(O1)\C=C/C(O)=OformulaC13H10O4inchiInChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-inchikeyDMVOIMZYBMLJHN-XKURDXHJSA-Npolar_surface_area67.51refractivity64.69polarizability23.44rotatable_bond_count5acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::CMs26230Specdb::CMs46284Specdb::CMs158730Specdb::MsMs94863Specdb::MsMs94864Specdb::MsMs94865Specdb::MsMs158994Specdb::MsMs158995Specdb::MsMs158996Specdb::MsMs2828630Specdb::MsMs2828631Specdb::MsMs2828632Specdb::MsMs2853013Specdb::MsMs2853014Specdb::MsMs2853015HMDB39141#<Reference:0x00005556745b7d20>PulsesUnknowngeneric