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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:11 UTC
Update Date2025-03-25 01:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247575
Frequency0.5
Structure
Chemical FormulaC6H7Cl3O
Molecular Mass199.9562
SMILESCCCC(=O)C(Cl)=C(Cl)Cl
InChI KeyDFRLIQBBIQZDDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-chloroketones
  • chloroalkenes
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • vinyl chlorides
  • vinylogous halides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • chloroalkene
  • organochloride
  • organohalogen compound
  • vinylogous halide
  • alpha-chloroketone
  • ketone
  • organic oxide
  • vinyl halide
  • haloalkene
  • alpha-haloketone
  • hydrocarbon derivative
  • acryloyl-group
  • vinyl chloride
  • enone