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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:22:26 UTC
Update Date2025-03-24 20:17:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01400606
Frequency0.9
Structure
Chemical FormulaC4H3ClO3
Molecular Mass133.9771
SMILESO=C1OC(O)C=C1Cl
InChI KeyNAORIFXJYIEYPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • chloroalkenes
  • dihydrofurans
  • enoate esters
  • hemiacetals
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • oxacyclic compounds
  • vinyl chlorides
    • Substituents
  • enoate ester
  • carbonyl group
  • chloroalkene
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • vinyl halide
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • haloalkene
  • hemiacetal
  • hydrocarbon derivative
  • vinyl chloride
  • organooxygen compound