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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:05 UTC
Update Date2025-03-25 00:57:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02222392
Frequency0.5
Structure
Chemical FormulaC9H7NO2S
Molecular Mass193.0197
SMILESO=CC1Sc2ccccc2NC1=O
InChI KeyAZQPKNLNBSDQES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazines
Subclass benzothiazines
Direct Parent benzothiazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • 1,4-thiazines
  • aldehydes
  • alkylarylthioethers
  • azacyclic compounds
  • benzenoids
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • para-thiazine
  • lactam
  • azacycle
  • benzothiazine
  • aldehyde
  • alkylarylthioether
  • carboxamide group
  • carboxylic acid derivative
  • aryl thioether
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound