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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:32:15 UTC
Update Date2025-03-24 22:15:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01135071
Frequency1.2
Structure
Chemical FormulaC4H5ClO2
Molecular Mass119.9978
SMILESCC(=O)C(Cl)C=O
InChI KeyGDCLJVFGIMHLTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • alkyl chlorides
  • alpha-chloroketones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • aliphatic acyclic compound
  • alkyl chloride
  • organochloride
  • beta-ketoaldehyde
  • organohalogen compound
  • alpha-chloroketone
  • ketone
  • organic oxide
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound