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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:20:39 UTC
Update Date2025-03-21 19:11:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00252323
Frequency8.3
Structure
Chemical FormulaC4H7ClO2
Molecular Mass122.0135
SMILESCCOC(=O)CCl
InChI KeyVEUUMBGHMNQHGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound