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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:58 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251626
Frequency0.5
Structure
Chemical FormulaC4H2Cl4O
Molecular Mass205.886
SMILESO=CC=C(Cl)C(Cl)(Cl)Cl
InChI KeyZQHPTUGLKUSDHO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classvinyl halides
Subclass vinylogous halides
Direct Parent vinylogous halides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • alkyl chlorides
  • chloroalkenes
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • vinyl chlorides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • chloroalkene
  • organochloride
  • aldehyde
  • vinylogous halide
  • organic oxide
  • organic oxygen compound
  • haloalkene
  • alkyl halide
  • hydrocarbon derivative
  • vinyl chloride
  • organooxygen compound