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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:50 UTC
Update Date2025-03-25 00:57:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224098
Frequency0.5
Structure
Chemical FormulaC11H5Cl9O
Molecular Mass467.7537
SMILESO=C(Cl)C1=C(Cl)C2(Cl)C3C(Cl)C(Cl)C(Cl)C3C1(Cl)C2(Cl)Cl
InChI KeyYNIMKQSKVNKYEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classvinyl halides
Subclass vinylogous halides
Direct Parent vinylogous halides
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • acyl chlorides
  • alkyl chlorides
  • carbonyl compounds
  • chloroalkenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • vinyl chlorides
    • Substituents
  • carbonyl group
  • alkyl chloride
  • chloroalkene
  • organochloride
  • vinylogous halide
  • acyl halide
  • aliphatic homopolycyclic compound
  • organic oxide
  • organic oxygen compound
  • acyl chloride
  • haloalkene
  • alkyl halide
  • hydrocarbon derivative
  • vinyl chloride
  • organooxygen compound