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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:16 UTC
Update Date2025-03-21 18:35:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103654
Frequency26.2
Structure
Chemical FormulaC19H24O3
Molecular Mass300.1725
SMILESCOc1cccc(CC(CO)C(CO)Cc2ccccc2)c1
InChI KeySXRSRXCNUJLBCI-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
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound