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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:58 UTC
Update Date2025-03-21 18:40:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131754
Frequency19.2
Structure
Chemical FormulaC17H17Cl2N
Molecular Mass305.0738
SMILESCNC1Cc2ccccc2C(c2ccc(Cl)c(Cl)c2)C1
InChI KeyKDERKEZKMQCRPQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • dialkylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • tetralin
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • organochloride
  • aromatic homopolycyclic compound
  • secondary amine
  • organohalogen compound
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • organic nitrogen compound
  • halobenzene
  • amine