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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:57 UTC
Update Date2025-03-25 00:57:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224337
Frequency0.5
Structure
Chemical FormulaC7H8O8S
Molecular Mass251.994
SMILESO=C(O)C1=CC(O)C(=O)C(OS(=O)(=O)O)C1
InChI KeySTECLHMWAVGRMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent cyclohexenones
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • cyclohexenone
  • sulfuric acid monoester
  • carboxylic acid
  • organic sulfuric acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • alkyl sulfate
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester