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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:39 UTC
Update Date2025-03-25 00:54:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205051
Frequency0.5
Structure
Chemical FormulaC16H10Cl2O5S
Molecular Mass383.9626
SMILESO=S(=O)(O)Oc1c(Oc2ccc(Cl)cc2Cl)ccc2ccccc12
InChI KeyYGDZPIFHHSOGHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • arylsulfates
  • dichlorobenzenes
  • hydrocarbon derivatives
  • naphthalenes
  • organic oxides
  • organochlorides
  • phenol ethers
  • phenoxy compounds
  • sulfuric acid monoesters
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organochloride
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • arylsulfate
  • aryl chloride
  • chlorobenzene
  • organic sulfuric acid or derivatives
  • aromatic homopolycyclic compound
  • aryl halide
  • naphthalene
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester