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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:41 UTC
Update Date2025-03-25 00:51:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186914
Frequency0.5
Structure
Chemical FormulaC6H6N4O4S
Molecular Mass230.011
SMILESNS(=O)(=O)c1cc(=O)[nH]c2[nH]c(=O)[nH]c12
InChI KeyPJIQTAFULIJPMB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinesulfonamides
Direct Parent pyridinesulfonamides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aminosulfonyl compounds
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidazopyridines
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • polyhalopyridines
  • pyridinones
  • Substituents
  • organosulfonic acid or derivatives
  • lactam
  • polyhalopyridine
  • imidazopyridine
  • pyridine-4-sulfonamide
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azole
  • carbonic acid derivative
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound