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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:37 UTC
Update Date2025-03-21 18:39:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126113
Frequency20.3
Structure
Chemical FormulaC11H10O4S
Molecular Mass238.03
SMILESCOc1ccc2cc(S(=O)(=O)O)ccc2c1
InChI KeyFOIKGWJGRNNGQP-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
  • alkyl aryl ethers
  • anisoles
  • arylsulfonic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • ether
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • organosulfur compound
  • 2-naphthalene sulfonic acid or derivatives
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • arylsulfonic acid or derivatives
  • organic sulfonic acid or derivatives
  • naphthalene sulfonate
  • anisole
  • hydrocarbon derivative
  • 2-naphthalene sulfonate
  • organooxygen compound