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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:42 UTC
Update Date2025-03-21 17:58:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012472
Frequency364.2
Structure
Chemical FormulaC21H28O6
Molecular Mass376.1886
SMILESCOc1cc(CC(CO)C(CO)Cc2ccc(OC)c(OC)c2)ccc1O
InChI KeyQOOLUDONRDSQAX-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
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • methoxyphenols
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound