Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:49 UTC
Update Date2025-03-21 18:31:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087990
Frequency32.3
Structure
Chemical FormulaC9H8Cl6O
Molecular Mass341.8706
SMILESClC1C(Cl)C2C(Cl)C(Cl)C3(Cl)OC3C2C1Cl
InChI KeyYIBQYMXCNKLPTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
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
  • oxepane
  • oxacycle
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound