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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:15 UTC
Update Date2025-03-21 18:39:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125239
Frequency20.5
Structure
Chemical FormulaC12H14O5
Molecular Mass238.0841
SMILESCc1ccc(CCC(=O)O)c(CC(=O)O)c1O
InChI KeyBPQPXLFUFHHOLH-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2(hydroxyphenyl)acetic acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • ortho cresols
  • toluenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • o-cresol
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • toluene
  • organooxygen compound
  • 2(hydroxyphenyl)acetic acid