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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:01 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183079
Frequency0.5
Structure
Chemical FormulaC10H7NO5S
Molecular Mass253.0045
SMILESO=[N+]([O-])c1cc(S(=O)(=O)O)cc2ccccc12
InChI KeyWLDFOWKHIWIHEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonates
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-sulfo,2-unsubstituted aromatic compounds
  • 2-naphthalene sulfonic acids and derivatives
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • nitronaphthalenes
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonic acids
  • propargyl-type 1,3-dipolar organic compounds
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • organosulfonic acid
  • allyl-type 1,3-dipolar organic compound
  • organosulfur compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • 2-naphthalene sulfonate
  • nitroaromatic compound
  • 1-sulfo,2-unsubstituted aromatic compound
  • aromatic homopolycyclic compound
  • organic 1,3-dipolar compound
  • 2-naphthalene sulfonic acid or derivatives
  • 1-nitronaphthalene
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite