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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:15 UTC
Update Date2025-03-25 00:46:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158564
Frequency0.5
Structure
Chemical FormulaC5H7Cl3O
Molecular Mass187.9562
SMILESOC(C1CC1)C(Cl)(Cl)Cl
InChI KeyQINBPBCPWBPDQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classhalohydrins
Subclass chlorohydrins
Direct Parent chlorohydrins
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • secondary alcohols
    • Substituents
  • alcohol
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • organic oxygen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound