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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:29 UTC
Update Date2025-03-25 00:48:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168141
Frequency0.5
Structure
Chemical FormulaC19H18O6
Molecular Mass342.1103
SMILESCC(Cc1ccc(COC(=O)c2ccccc2C(=O)O)cc1)C(=O)O
InChI KeyJNXIRWUIFCMASV-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-carboxy-2-haloaromatic compounds
  • benzoic acid esters
  • benzoic acids
  • benzoyl derivatives
  • benzyloxycarbonyls
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • organic oxides
  • phenylpropanes
  • tricarboxylic acids and derivatives
    • Substituents
  • benzyloxycarbonyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • benzoyl
  • benzoic acid or derivatives
  • tricarboxylic acid or derivatives
  • benzoate ester
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • benzenoid
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • organooxygen compound