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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:11 UTC
Update Date2025-03-25 00:56:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217957
Frequency0.5
Structure
Chemical FormulaC10H9NO5S
Molecular Mass255.0201
SMILESO=c1cc(COS(=O)(=O)O)[nH]c2ccccc12
InChI KeyXWXRVITUPRWLHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent hydroquinolones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl sulfates
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroquinolines
  • hydroxypyridines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • polyhalopyridine
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • dihydroquinoline
  • dihydroquinolone
  • pyridine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound