Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:41:33 UTC
Update Date2025-03-21 17:59:06 UTC
HMDB IDHMDB0002222
Metabolite Identification
DeepMet IDDMID00018787
Name3-Methylphenylacetic acid
Frequency219.5
Structure
Chemical FormulaC9H10O2
Molecular Mass150.0681
SMILESCc1cccc(CC(=O)O)c1
InChI KeyGJMPSRSMBJLKKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass toluenes
Direct Parent toluenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • toluene
  • organooxygen compound