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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:45:24 UTC
Update Date2025-03-21 18:00:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00027592
Frequency137.3
Structure
Chemical FormulaC18H22O6
Molecular Mass334.1416
SMILESOCC(Cc1cc(O)cc(O)c1)C(CO)Cc1ccc(O)c(O)c1
InChI KeyAEVBITIFKCYYHC-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
  • resorcinols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organooxygen compound