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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:32 UTC
Update Date2025-03-25 00:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227767
Frequency0.5
Structure
Chemical FormulaC17H20O4
Molecular Mass288.1362
SMILESCC(=O)C1CCC(OC(=O)C=Cc2ccccc2)C(O)C1
InChI KeyWLGOLJRJGJFSFP-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
  • benzene and substituted derivatives
  • cyclic alcohols and derivatives
  • cyclohexanols
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • ketone
  • aromatic homomonocyclic compound
  • alpha,beta-unsaturated carboxylic ester
  • fatty acid ester
  • cinnamic acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound