Hmdb loader

Showing information for DMID00020453

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:18 UTC
Update Date2025-03-21 17:59:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00020453
Frequency197.9
Structure
Chemical FormulaC13H16O4
Molecular Mass236.1049
SMILESCC(CC(=O)O)c1ccc(C(C)C(=O)O)cc1
InChI KeySEBPYDQPHWTEBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aromatic monoterpenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • p-cymene
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid