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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:07 UTC
Update Date2025-03-21 18:32:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091051
Frequency30.9
Structure
Chemical FormulaC13H3Cl13
Molecular Mass613.6186
SMILESClC1=C(Cl)C2(Cl)C3C(C(Cl)C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C3(Cl)C1(Cl)Cl
InChI KeyZHCDBGONSOEHAG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classvinyl halides
Subclass vinyl chlorides
Direct Parent vinyl chlorides
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • chloroalkenes
  • hydrocarbon derivatives
  • organochlorides
    • Substituents
  • alkyl chloride
  • chloroalkene
  • organochloride
  • haloalkene
  • alkyl halide
  • hydrocarbon derivative
  • vinyl chloride
  • aliphatic homopolycyclic compound