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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:39 UTC
Update Date2025-03-21 18:07:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068487
Frequency44.2
Structure
Chemical FormulaC17H17Cl2NO
Molecular Mass321.0687
SMILESCNC1CCC(c2cc(Cl)c(O)c(Cl)c2)c2ccccc21
InChI KeyWUFBHHOTLYNRPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tametralines
Direct Parent tametralines
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • dialkylamines
  • dichlorobenzenes
  • halophenols
  • hydrocarbon derivatives
  • o-chlorophenols
  • organochlorides
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • monocyclic benzene moiety
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • aryl chloride
  • 2-chlorophenol
  • chlorobenzene
  • secondary aliphatic amine
  • aromatic homopolycyclic compound
  • secondary amine
  • aryl halide
  • tametraline
  • 2-halophenol
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound
  • amine