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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:37 UTC
Update Date2025-03-25 00:50:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179892
Frequency0.5
Structure
Chemical FormulaC19H25NO5
Molecular Mass347.1733
SMILESCOc1cc(CC(CO)C(CO)Cc2ccc(N)c(O)c2)ccc1O
InChI KeySPFFPOYMJBYAOE-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
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organopnictogen compounds
  • phenoxy compounds
  • primary alcohols
  • primary amines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • dibenzylbutane lignan skeleton
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound