RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0188166
RefMet name3-Methoxyphenylacetic acid
Systematic name2-(3-methoxyphenyl)acetic acid
SynonymsPubChem Synonyms
Exact mass166.062995 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H10O3View other entries in RefMet with this formula
Molecular descriptors
Molfile131976 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyLEGPZHPSIPPYIO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassPhenylpropanoids
Sub ClassCinnamic acids
Distribution of 3-Methoxyphenylacetic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 3-Methoxyphenylacetic acid
External Links
Pubchem CID15719
HMDB IDHMDB0059969
PhytoHub DBPHUB002138
ChEMBL DBCHEMBL345053
Spectral data for 3-Methoxyphenylacetic acid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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