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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:00 UTC
Update Date2025-03-21 18:35:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105425
Frequency25.6
Structure
Chemical FormulaC6H6O5S
Molecular Mass189.9936
SMILESO=S(=O)(O)c1cc(O)cc(O)c1
InChI KeyKYBQHRJTFDLLFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzenesulfonic acids and derivatives
Direct Parent benzenesulfonic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 1-sulfo,2-unsubstituted aromatic compounds
  • arylsulfonic acids and derivatives
  • benzenesulfonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organosulfonic acids
  • resorcinols
  • sulfonyls
  • Substituents
  • organosulfonic acid or derivatives
  • 1-sulfo,2-unsubstituted aromatic compound
  • organosulfonic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzenesulfonate
  • 1-hydroxy-4-unsubstituted benzenoid
  • organosulfur compound
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxide
  • sulfonyl
  • arylsulfonic acid or derivatives
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • benzenesulfonyl group