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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:54 UTC
Update Date2025-03-25 01:00:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242184
Frequency0.5
Structure
Chemical FormulaC21H28O3
Molecular Mass328.2038
SMILESCC(C)c1ccc(CC(CO)C(CO)Cc2ccc(O)cc2)cc1
InChI KeyXJQBTRFZTXFCAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classdibenzylbutane lignans
Subclass dibenzylbutane lignans
Direct Parent dibenzylbutane lignans
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic monoterpenoids
  • cumenes
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • phenylpropanes
  • primary alcohols
    • Substituents
  • alcohol
  • monoterpenoid
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • p-cymene
  • phenylpropane
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • phenol
  • cumene
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound
  • aromatic monoterpenoid