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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:50 UTC
Update Date2025-03-25 00:48:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168927
Frequency0.5
Structure
Chemical FormulaC21H28O3
Molecular Mass328.2038
SMILESCC(C)CC(Cc1ccc(O)cc1)C(CO)Cc1cccc(O)c1
InChI KeyKKRULUBDHOTQNK-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
  • fatty alcohols
  • hydrocarbon derivatives
  • primary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • fatty alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound