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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:26 UTC
Update Date2025-03-21 18:35:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104054
Frequency26.1
Structure
Chemical FormulaC7H5NO6S
Molecular Mass230.9838
SMILESO=C(O)c1ccc(S(=O)(=O)[N+](=O)[O-])cc1
InChI KeyIOGIZJXUNLSISQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonamides
Direct Parent benzenesulfonamides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzenesulfonyl compounds
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • organic oxoanionic compounds
  • organooxygen compounds
  • organosulfonic acids and derivatives
  • sulfonyls
  • Substituents
  • organosulfonic acid or derivatives
  • carboxylic acid
  • allyl-type 1,3-dipolar organic compound
  • benzoyl
  • organosulfur compound
  • carboxylic acid derivative
  • organic nitro compound
  • organic oxide
  • benzoic acid
  • benzenesulfonyl group
  • benzenesulfonamide
  • benzoic acid or derivatives
  • organic 1,3-dipolar compound
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite