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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:49 UTC
Update Date2025-03-21 18:29:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00076089
Frequency38.8
Structure
Chemical FormulaC9H5Cl7O
Molecular Mass373.816
SMILESClC1C2C(C3OC13Cl)C1(Cl)C(Cl)C2(Cl)C1(Cl)Cl
InChI KeyCKAFDEZKOGWUDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
    • Substituents
  • ether
  • alkyl chloride
  • organochloride
  • oxirane
  • organohalogen compound
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • oxane
  • organooxygen compound