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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:08 UTC
Update Date2025-03-25 00:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213261
Frequency0.5
Structure
Chemical FormulaC9H8N2O4S
Molecular Mass240.0205
SMILESCN1C(C(=O)O)=NS(=O)(=O)c2ccccc21
InChI KeyFVUKPWPRMDXRIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiadiazines
Subclass benzothiadiazines
Direct Parent 1,2,4-benzothiadiazine-1,1-dioxides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • azacycle
  • alpha-amino acid or derivatives
  • amidine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 1,2,4-benzothiadiazine-1,1-dioxide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound