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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:10 UTC
Update Date2025-03-21 18:35:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105824
Frequency25.5
Structure
Chemical FormulaC9H8N2O2S
Molecular Mass208.0306
SMILESNS(=O)(=O)c1cccc2cccnc12
InChI KeyZTYZEUXZHGOXRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolines and derivatives
Direct Parent quinolines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • polyhalopyridines
  • pyridines and derivatives
  • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • polyhalopyridine
  • heteroaromatic compound
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound