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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:40 UTC
Update Date2025-03-25 00:46:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157287
Frequency0.5
Structure
Chemical FormulaC9H9NO4S
Molecular Mass227.0252
SMILESO=C1CCc2c(cc(O)cc2S(=O)O)N1
InChI KeyWAXPUEDQVFLLOA-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroquinolines
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • secondary carboxylic acid amides
  • sulfinic acids
    • Substituents
  • tetrahydroquinolone
  • carbonyl group
  • lactam
  • azacycle
  • sulfinic acid derivative
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • sulfinic acid
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • organooxygen compound