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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:12 UTC
Update Date2025-03-25 01:01:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249841
Frequency0.5
Structure
Chemical FormulaC16H14N2O2S
Molecular Mass298.0776
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccccc3)c2c1
InChI KeyJZPXMYLLLOUJTH-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
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary amines
  • sulfones
  • Substituents
  • monocyclic benzene moiety
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • amine
  • sulfone