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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:39 UTC
Update Date2025-03-25 00:49:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177759
Frequency0.5
Structure
Chemical FormulaC14H18O4
Molecular Mass250.1205
SMILESCc1ccc(C)c(CC(C)C(=O)O)c1CC(=O)O
InChI KeyFDWFRUZMRXNXOA-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
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenylpropanes
  • p-xylenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • p-xylene
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound