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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:39 UTC
Update Date2025-03-21 17:58:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012378
Frequency367.5
Structure
Chemical FormulaC19H24O6
Molecular Mass348.1573
SMILESCOc1cc(CC(O)C(CO)Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyCEQDTXAFYQUTAI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound