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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:08 UTC
Update Date2025-03-25 00:49:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176538
Frequency0.5
Structure
Chemical FormulaC17H14O4
Molecular Mass282.0892
SMILESO=C(O)C=Cc1ccccc1C(=O)OCc1ccccc1
InChI KeyJVVRXXCFOFGTKL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classcinnamic acids and derivatives
Subclass cinnamic acids and derivatives
Direct Parent cinnamic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzoic acid esters
  • benzoyl derivatives
  • benzyloxycarbonyls
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • benzyloxycarbonyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • benzoate ester
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound