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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:54 UTC
Update Date2025-03-25 00:54:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205595
Frequency0.5
Structure
Chemical FormulaC10H9NO4S
Molecular Mass239.0252
SMILESNc1c(O)cc2ccccc2c1S(=O)(=O)O
InChI KeyJCWUKYQBVMBAPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 1-naphthalene sulfonic acids and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-naphthalene sulfonates
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonic acids
  • primary amines
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • organosulfonic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • 1-naphthalene sulfonic acid or derivatives
  • 1-naphthalene sulfonate
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-naphthol
  • aromatic homopolycyclic compound
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound