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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:10 UTC
Update Date2025-03-25 00:54:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02208523
Frequency0.5
Structure
Chemical FormulaC21H24O4
Molecular Mass340.1675
SMILESCC(C(=O)O)c1ccc(COC(=O)c2cccc(C(C)(C)C)c2)cc1
InChI KeyGQHJUVTWMCMYLK-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
  • benzoic acid esters
  • benzoyl derivatives
  • benzyloxycarbonyls
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
    • Substituents
  • benzyloxycarbonyl
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • benzoate ester
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • 2-phenylpropanoic-acid
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • aromatic monoterpenoid