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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:49 UTC
Update Date2025-03-25 01:02:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02253482
Frequency0.5
Structure
Chemical FormulaC10H10N2O3S
Molecular Mass238.0412
SMILESNc1cccc2ccc(O)c(S(N)(=O)=O)c12
InChI KeyHIVIKHSWHMAKJP-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 sulfonamides
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • organosulfonamides
  • primary amines
  • Substituents
  • organosulfonic acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • 1-naphthalene sulfonic acid or derivatives
  • organosulfonic acid amide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-naphthol
  • aminosulfonyl compound
  • aromatic homopolycyclic compound
  • naphthalene sulfonamide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • 1-naphthalene sulfonamide
  • amine
  • organooxygen compound