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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:38 UTC
Update Date2025-03-21 18:04:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049657
Frequency66.4
Structure
Chemical FormulaC10H10O6S
Molecular Mass258.0198
SMILESO=C(CCC(=O)c1ccccc1)OS(=O)(=O)O
InChI KeyOMLIXBWVJFGKOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aryl alkyl ketone
  • benzoyl
  • carboxylic acid derivative
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • alkyl-phenylketone