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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:24 UTC
Update Date2025-03-25 00:49:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177146
Frequency0.5
Structure
Chemical FormulaC7H8O7S
Molecular Mass235.9991
SMILESO=C(O)C1C(=O)C=CC(O)C1S(=O)(=O)O
InChI KeyXFCGDKDMPWWBKJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfonic acids
  • secondary alcohols
  • sulfonyls
    • Substituents
  • alcohol
  • cyclohexenone
  • organosulfonic acid or derivatives
  • carboxylic acid
  • organosulfonic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound