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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:32 UTC
Update Date2025-03-25 00:54:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204766
Frequency0.5
Structure
Chemical FormulaC20H16O3
Molecular Mass304.1099
SMILESO=CC(=Cc1ccccc1)C(=O)CC(=O)C=Cc1ccccc1
InChI KeyRLOQSQXLHCDMLT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-branched alpha,beta-unsaturated ketones
  • benzene and substituted derivatives
  • beta ketoaldehydes
  • cinnamaldehydes
  • cinnamic acids and derivatives
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • monocyclic benzene moiety
  • cinnamaldehyde
  • carbonyl group
  • beta-ketoaldehyde
  • aldehyde
  • alpha,beta-unsaturated ketone
  • ketone
  • aromatic homomonocyclic compound
  • cinnamic acid or derivatives
  • organic oxide
  • organic oxygen compound
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • organooxygen compound
  • enone