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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:12 UTC
Update Date2025-03-25 00:47:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165217
Frequency0.5
Structure
Chemical FormulaC11H14O3S
Molecular Mass226.0664
SMILESCC1OS(=O)(=O)c2ccccc2C1(C)C
InChI KeyMINQSYNZIMGZOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxathiins
Subclass benzoxathiins
Direct Parent benzoxathiins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organosulfonic acid esters
  • oxacyclic compounds
  • oxathiins
    • Substituents
  • organosulfonic acid or derivatives
  • 1,2-benzooxathiin
  • 1,2-oxathiin
  • organosulfonic acid ester
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound