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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:05:09 UTC
Update Date2025-03-24 19:53:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01069343
Frequency1.3
Structure
Chemical FormulaC5H7ClO2
Molecular Mass134.0135
SMILESCC(=O)C(C)C(=O)Cl
InChI KeyKGMLSGBRJLCZOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl chlorides
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organochlorides
    • Substituents
  • aliphatic acyclic compound
  • organochloride
  • organohalogen compound
  • acyl halide
  • ketone
  • organic oxide
  • acyl chloride
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound