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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:05 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171794
Frequency0.5
Structure
Chemical FormulaC20H22Cl2FN
Molecular Mass365.1113
SMILESCN(C)CCC1(c2ccc(F)cc2)CCCc2cc(Cl)c(Cl)cc21
InChI KeyAOKKGFPDUBJIEZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organofluorides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aryl fluoride
  • aryl chloride
  • tetralin
  • monocyclic benzene moiety
  • organofluoride
  • organochloride
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • fluorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • tertiary amine