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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:47 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237351
Frequency0.5
Structure
Chemical FormulaC9H10N2O4S
Molecular Mass242.0361
SMILESO=C(CO)Nc1ccc2c(c1)S(=O)(=O)NC2
InChI KeyAWVBPIAPAQAWAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazoles
Subclass benzothiazoles
Direct Parent benzothiazoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • organosulfonic acid or derivatives
  • carbonyl group
  • azacycle
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • 1,2-benzothiazole
  • organosulfonic acid amide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound