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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:19 UTC
Update Date2025-03-21 18:02:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036936
Frequency95.5
Structure
Chemical FormulaC10H8O4S
Molecular Mass224.0143
SMILESO=S(=O)(O)c1ccc2cccc(O)c2c1
InChI KeySYMAOPXKWWZQIR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalene sulfonic acids and derivatives
Direct Parent 2-naphthalene sulfonic acids and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 1-sulfo,2-unsubstituted aromatic compounds
  • 2-naphthalene sulfonates
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • naphthols and derivatives
  • organic oxides
  • organooxygen compounds
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • hydrocarbon derivative
  • 1-naphthol
  • 2-naphthalene sulfonate
  • organooxygen compound