Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:37 UTC
Update Date2025-03-21 18:36:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00111864
Frequency23.8
Structure
Chemical FormulaC10H3Cl9O
Molecular Mass453.7381
SMILESClC1=C(Cl)C2(Cl)C3C(C4OC(Cl)(Cl)C43Cl)C1(Cl)C2(Cl)Cl
InChI KeyJQQAXGBULCZVLS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxocins
Subclass oxocins
Direct Parent oxocins
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl chlorides
  • chloroalkenes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • oxanes
  • oxetanes
  • vinyl chlorides
  • Substituents
  • ether
  • alkyl chloride
  • chloroalkene
  • organochloride
  • organohalogen compound
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • vinyl halide
  • oxetane
  • haloalkene
  • alkyl halide
  • hydrocarbon derivative
  • vinyl chloride
  • oxane
  • organooxygen compound
  • oxocin