RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0038274
RefMet name3-Hydroxy-4-methoxybenzoic acid
Systematic name3-Hydroxy-4-methoxybenzoic acid
SynonymsPubChem Synonyms
Exact mass168.042260 (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
FormulaC8H8O4View other entries in RefMet with this formula
Molecular descriptors
Molfile62968 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChIKeyLBKFGYZQBSGRHY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCOc1ccc(cc1O)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassHydroxybenzoic acids
Distribution of 3-Hydroxy-4-methoxybenzoic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 3-Hydroxy-4-methoxybenzoic acid
External Links
Pubchem CID12575
ChEBI ID63798
HMDB IDHMDB0060003
PhytoHub DBPHUB001276
Spectral data for 3-Hydroxy-4-methoxybenzoic acid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo