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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:46:24 UTC
Update Date2025-03-24 22:21:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01169765
Frequency1.2
Structure
Chemical FormulaC4H5ClO3
Molecular Mass135.9927
SMILESOC1C2OC(O2)C1Cl
InChI KeyDBWXCCJKOYRZMN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • chlorohydrins
  • dioxetanes
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • chlorohydrin
  • tetrahydrofuran
  • halohydrin
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • 1,3-dioxetane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound