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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:13 UTC
Update Date2025-03-21 18:33:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096139
Frequency28.8
Structure
Chemical FormulaC18H20O6
Molecular Mass332.126
SMILESCOc1cc(CC(CO)C(=O)Cc2ccc(O)c(O)c2)ccc1O
InChI KeyCWWVZVIPSSAYLM-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • norlignan skeleton
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organooxygen compound