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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:02 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249475
Frequency0.5
Structure
Chemical FormulaC22H30O7
Molecular Mass406.1992
SMILESCOc1cc(CC(CO)C(CO)Cc2ccc(OCCO)c(OC)c2)ccc1O
InChI KeyMUCKATSOCSVZAU-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
  • hydrocarbon derivatives
  • methoxybenzenes
  • 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
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound