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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:10:45 UTC
Update Date2025-03-24 21:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01944659
Frequency0.6
Structure
Chemical FormulaC5H7ClO
Molecular Mass118.0185
SMILESC=C(C)C(=O)CCl
InChI KeyCHOUEZIASOOSOU-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
  • alkyl chlorides
  • alpha-chloroketones
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • alpha-chloroketone
  • ketone
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • acryloyl-group
  • enone