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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:24 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177164
Frequency0.5
Structure
Chemical FormulaC16H13NO5S2
Molecular Mass363.0235
SMILESO=S(O)c1cc(S(=O)(=O)O)cc2cccc(Nc3ccccc3)c12
InChI KeySYEABFUGFCBSQT-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
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • secondary amines
  • sulfinic acids
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • sulfinic acid derivative
  • organosulfonic acid
  • organosulfur compound
  • sulfinic acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-naphthalene sulfonate
  • 1-sulfo,2-unsubstituted aromatic compound
  • aromatic homopolycyclic compound
  • secondary amine
  • 2-naphthalene sulfonic acid or derivatives
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine