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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:59 UTC
Update Date2025-03-25 00:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219804
Frequency0.5
Structure
Chemical FormulaC20H20O5
Molecular Mass340.1311
SMILESCOC1=C(O)C(Cc2cccc(O)c2)C(Cc2cccc(O)c2)C1=O
InChI KeyMBUKMJBVITWLBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classdiarylheptanoids
Subclass linear diarylheptanoids
Direct Parent linear diarylheptanoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • phenol
  • linear 1,7-diphenylheptane skeleton
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound