1.02012-01-20 01:16:41 UTC2017-03-11 23:01:29 UTCFDB029987Dihydroferulic acidA polyphenol metabolite detected in biological fluids [PhenolExplorer]C10H12O4196.1999196.0735588721135-23-5COC1=C(O)C=CC(CCC(O)=O)=C1InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)BOLQJTPHPSDZHR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.Phenylpropanoic acidsOrganic compoundsPhenylpropanoids and polyketidesPhenylpropanoic acidsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersAnisolesCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMethoxybenzenesMethoxyphenolsMonocarboxylic acids and derivativesOrganic oxidesPhenoxy compounds1-hydroxy-2-unsubstituted benzenoid3-phenylpropanoic-acidAlkyl aryl etherAnisoleAromatic homomonocyclic compoundBenzenoidCarbonyl groupCarboxylic acidCarboxylic acid derivativeEtherHydrocarbon derivativeMethoxybenzeneMethoxyphenolMonocarboxylic acid or derivativesMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenolPhenol etherPhenoxy compoundmonocarboxylic acidaverage_mass196.1999mono_mass196.073558872smilesCOC1=C(O)C=CC(CCC(O)=O)=C1formulaC10H12O4inchiInChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)inchikeyBOLQJTPHPSDZHR-UHFFFAOYSA-NSpecdb::MsIr10383Specdb::MsIr10384Specdb::MsIr10385Specdb::CMs5673Specdb::CMs48779Specdb::CMs135475Specdb::CMs143209Specdb::NmrOneD259408Specdb::NmrOneD259409Specdb::NmrOneD259410Specdb::NmrOneD259411Specdb::NmrOneD259412Specdb::NmrOneD259413Specdb::NmrOneD259414Specdb::NmrOneD259415Specdb::NmrOneD259416Specdb::NmrOneD259417Specdb::NmrOneD259418Specdb::NmrOneD259419Specdb::NmrOneD259420Specdb::NmrOneD259421Specdb::NmrOneD259422Specdb::NmrOneD259423Specdb::NmrOneD259424Specdb::NmrOneD259425Specdb::NmrOneD259426Specdb::NmrOneD259427Specdb::MsMs240157Specdb::MsMs240158Specdb::MsMs240159Specdb::MsMs242212Specdb::MsMs242213Specdb::MsMs242214Specdb::MsMs2266263Specdb::MsMs2266264Specdb::MsMs2266265Specdb::MsMs3075303Specdb::MsMs3075304Specdb::MsMs3075305