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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:25 UTC
Update Date2025-03-21 18:04:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049135
Frequency67.2
Structure
Chemical FormulaC18H21ClO4
Molecular Mass336.1128
SMILESOCC(Cc1cccc(O)c1)C(CO)Cc1ccc(O)c(Cl)c1
InChI KeyZMXJMMAJNOYJRG-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
  • aryl chlorides
  • chlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • primary alcohols
    • Substituents
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • alcohol
  • monocyclic benzene moiety
  • organochloride
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • 2-halophenol
  • dibenzylbutane lignan skeleton
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • primary alcohol
  • organooxygen compound