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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:14 UTC
Update Date2025-03-21 18:06:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00062695
Frequency49.4
Structure
Chemical FormulaC26H30O5
Molecular Mass422.2093
SMILESOCC(Cc1cccc(O)c1)C(Cc1cccc(O)c1)C(CO)Cc1cccc(O)c1
InChI KeyDHPIVZJMEZAJOU-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