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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:03 UTC
Update Date2025-03-25 01:01:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251827
Frequency0.5
Structure
Chemical FormulaC7H5ClO3S
Molecular Mass203.9648
SMILESO=S1(=O)COc2ccc(Cl)cc21
InChI KeyJSBXMWKHZIZATE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxathioles
Subclass benzoxathioles
Direct Parent benzoxathioles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • oxacyclic compounds
  • sulfones
    • Substituents
  • aryl chloride
  • organochloride
  • benzoxathiole
  • organohalogen compound
  • aryl halide
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound
  • sulfone