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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:20 UTC
Update Date2025-03-25 00:56:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220641
Frequency0.5
Structure
Chemical FormulaC9H10O7S
Molecular Mass262.0147
SMILESO=C(O)Cc1ccc(O)c(OCS(=O)(=O)O)c1
InChI KeyFTKRECVZGXUPQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acids
  • phenoxy compounds
  • sulfonyls
    • Substituents
  • phenol ether
  • organosulfonic acid or derivatives
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • organosulfonic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • organosulfur compound
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound