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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:28 UTC
Update Date2025-03-25 00:46:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156848
Frequency0.5
Structure
Chemical FormulaC17H13NO4S
Molecular Mass327.0565
SMILESO=C(O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChI KeyWCDQNOJBPPWZNB-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-carboxy-2-haloaromatic compounds
  • 2-naphthalene sulfonic acids and derivatives
  • aminosulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • sulfanilides
  • vinylogous amides
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carboxylic acid
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • 2-naphthalene sulfonamide
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • vinylogous amide
  • aminosulfonyl compound
  • benzoic acid or derivatives
  • aromatic homopolycyclic compound
  • sulfanilide
  • 2-naphthalene sulfonic acid or derivatives
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound