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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:48 UTC
Update Date2025-03-25 00:54:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207638
Frequency0.5
Structure
Chemical FormulaC9H12O7S
Molecular Mass264.0304
SMILESO=C(CCC1CC(O)C=CC1=O)OS(=O)(=O)O
InChI KeyXSDKYSNNKQHGPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • cyclohexenone
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • sulfuric acid ester