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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:46 UTC
Update Date2025-03-25 01:01:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246613
Frequency0.5
Structure
Chemical FormulaC19H24O4
Molecular Mass316.1675
SMILESCCC(Cc1cccc(O)c1)C(CO)Cc1ccc(O)c(O)c1
InChI KeyHECVERMIPPYHGB-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • primary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound