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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:36 UTC
Update Date2025-03-25 00:52:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02195718
Frequency0.5
Structure
Chemical FormulaC9H8Cl2O2
Molecular Mass217.9901
SMILESCC1COc2cc(Cl)c(Cl)cc2O1
InChI KeyAEZOEOVCCYSEDL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzodioxanes
Subclass benzo-1,4-dioxanes
Direct Parent benzo-1,4-dioxanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aryl chlorides
  • benzenoids
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • aryl chloride
  • benzo-1,4-dioxane
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound