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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:24 UTC
Update Date2025-03-21 18:04:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00051405
Frequency63.6
Structure
Chemical FormulaC8H12N2O4S
Molecular Mass232.0518
SMILESCOc1ccnc(CS(N)(=O)=O)c1OC
InChI KeyWKERHUWAFONUDM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl aryl ethers
  • aminosulfonyl compounds
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • ether
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • alkyl aryl ether
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • methylpyridine
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic sulfonic acid amide
  • organooxygen compound