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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:03 UTC
Update Date2025-03-21 18:38:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120094
Frequency21.7
Structure
Chemical FormulaC10H9Cl5O
Molecular Mass319.9096
SMILESClC1C(Cl)C2C(C1Cl)C1C2C(Cl)C2(Cl)OC12
InChI KeyUBUURZZXSPXCKL-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