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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:39 UTC
Update Date2025-03-21 18:40:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131019
Frequency19.3
Structure
Chemical FormulaC16H20O4
Molecular Mass276.1362
SMILESCCCCC=CC(=O)OC(Cc1ccccc1)C(=O)O
InChI KeyFAHYTDAGXSPAST-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
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • organic oxides
    • Substituents
  • enoate ester
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • 3-phenylpropanoic-acid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound