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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:51 UTC
Update Date2025-03-25 00:47:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159885
Frequency0.5
Structure
Chemical FormulaC12H8O3S
Molecular Mass232.0194
SMILESO=S(=O)(O)c1cc2c3c(cccc3c1)C=C2
InChI KeyZNSKMNCUNFYRRJ-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-sulfo,2-unsubstituted aromatic compounds
  • 2-naphthalene sulfonates
  • acenaphthylenes
  • 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
  • 2-naphthalene sulfonic acid or derivatives
  • acenaphthylene
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • hydrocarbon derivative
  • 2-naphthalene sulfonate