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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:24 UTC
Update Date2025-03-25 00:53:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02202163
Frequency0.5
Structure
Chemical FormulaC11H11NO2S
Molecular Mass221.051
SMILESCS(=O)(=O)c1ccc2cccc(N)c2c1
InChI KeyIXRBICDGFFXCBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonic acids and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • sulfones
    • Substituents
  • aromatic homopolycyclic compound
  • organosulfur compound
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • sulfone