Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:35:05 UTC
Update Date2025-03-21 17:56:51 UTC
HMDB IDHMDB0002237
Metabolite Identification
DeepMet IDDMID00004069
Name3,4-Dimethylbenzoic acid
Frequency1399.3
Structure
Chemical FormulaC9H10O2
Molecular Mass150.0681
SMILESCc1ccc(C(=O)O)cc1C
InChI KeyOPVAJFQBSDUNQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • o-xylenes
  • Substituents
  • carboxylic acid
  • benzoyl
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • hydrocarbon derivative
  • benzoic acid
  • organooxygen compound