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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:46 UTC
Update Date2025-03-25 01:01:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248864
Frequency0.5
Structure
Chemical FormulaC9H9ClO3
Molecular Mass200.024
SMILESCOc1cc2c(cc1Cl)OCCO2
InChI KeyLHVRRKCJXWMLCA-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
  • anisoles
  • aryl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • oxacyclic compounds
  • para dioxins
    • Substituents
  • aryl chloride
  • benzo-1,4-dioxane
  • phenol ether
  • ether
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • para-dioxin
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound