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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:32 UTC
Update Date2025-03-21 18:04:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049422
Frequency66.7
Structure
Chemical FormulaC10H9NO3S
Molecular Mass223.0303
SMILESNS(=O)(=O)c1ccc2cccc(O)c2c1
InChI KeyBJFCPQGKQLFTHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonamides
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 2-naphthalene sulfonic acids and derivatives
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic nitrogen compounds
  • organic oxides
  • organooxygen compounds
  • organosulfonamides
    • Substituents
  • organosulfonic acid or derivatives
  • aminosulfonyl compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • 2-naphthalene sulfonamide
  • organosulfonic acid amide
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • 1-naphthol
  • organic nitrogen compound
  • organooxygen compound