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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:28 UTC
Update Date2025-03-21 18:38:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118756
Frequency22.0
Structure
Chemical FormulaC5H8Cl2O3
Molecular Mass185.985
SMILESOCC1OC(O)C(Cl)C1Cl
InChI KeyYKECLNOIVQVSCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • chlorohydrins
  • hemiacetals
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • primary alcohols
    • Substituents
  • alcohol
  • chlorohydrin
  • tetrahydrofuran
  • halohydrin
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • alkyl halide
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound