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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:42 UTC
Update Date2025-03-25 00:57:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223784
Frequency0.5
Structure
Chemical FormulaC12H11N3O4S
Molecular Mass293.047
SMILESNC(=O)c1cccn(-c2ccc(S(N)(=O)=O)cc2)c1=O
InChI KeySHXBOAXDYDKHNT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenesulfonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • nicotinamides
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • primary carboxylic acid amides
  • pyridinecarboxylic acids and derivatives
  • pyridinones
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • pyridine carboxylic acid or derivatives
  • organosulfonic acid or derivatives
  • lactam
  • aromatic heteromonocyclic compound
  • nicotinamide
  • organosulfur compound
  • carboxylic acid derivative
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • benzenesulfonyl group
  • vinylogous amide
  • benzenesulfonamide
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • carboxamide group
  • sulfonyl
  • pyridine
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyridinone
  • organooxygen compound