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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:49 UTC
Update Date2025-03-25 00:59:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237410
Frequency0.5
Structure
Chemical FormulaC7H10N2O3S
Molecular Mass202.0412
SMILESNc1ccccc1C(N)S(=O)(=O)O
InChI KeyGKXHGMWYOASEBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • organosulfonic acid
  • organosulfur compound
  • aromatic homomonocyclic compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine