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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:32 UTC
Update Date2025-03-25 00:56:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218742
Frequency0.5
Structure
Chemical FormulaC12H12O3S
Molecular Mass236.0507
SMILESCc1ccc2cccc(S(=O)(=O)O)c2c1C
InChI KeyAVGAYTFSPOAEDR-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-naphthalene sulfonates
  • 1-sulfo,2-unsubstituted aromatic compounds
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • organosulfonic acid or derivatives
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • aromatic homopolycyclic compound
  • organosulfur compound
  • 1-naphthalene sulfonic acid or derivatives
  • 1-naphthalene sulfonate
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • hydrocarbon derivative