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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:04 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249548
Frequency0.5
Structure
Chemical FormulaC14H18O5
Molecular Mass266.1154
SMILESCc1cc(C(C)C(=O)O)ccc1CC(CO)C(=O)O
InChI KeyBNGSKRQSHZQUTI-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
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • primary alcohols
  • toluenes
    • Substituents
  • alcohol
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • p-cymene
  • hydroxy acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • beta-hydroxy acid
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid