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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:15 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172167
Frequency0.5
Structure
Chemical FormulaC9H13N3O2S
Molecular Mass227.0728
SMILESCN1CCNc2cc(S(N)(=O)=O)ccc21
InChI KeyYDWVANJBQUJQQU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • secondary alkylarylamines
    • Substituents
  • organosulfonic acid or derivatives
  • azacycle
  • aminosulfonyl compound
  • secondary amine
  • organosulfur compound
  • secondary aliphatic/aromatic amine
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organic sulfonic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • dialkylarylamine
  • organoheterocyclic compound