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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:20 UTC
Update Date2025-03-21 18:03:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044169
Frequency76.7
Structure
Chemical FormulaC29H36O8
Molecular Mass512.241
SMILESCOc1cc(CC(CO)C(Cc2ccc(O)c(OC)c2)C(CO)Cc2ccc(O)c(OC)c2)ccc1O
InChI KeyIWNJCWBGPDKEAY-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
  • fatty alcohols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • fatty acyl
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • aromatic homomonocyclic compound
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • fatty alcohol
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound