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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:07 UTC
Update Date2025-03-25 00:47:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162704
Frequency0.5
Structure
Chemical FormulaC11H12O8S
Molecular Mass304.0253
SMILESO=C(CCc1cc(O)ccc1O)CC(=O)OS(=O)(=O)O
InChI KeyFDUABYSUMBGBPU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • beta-keto acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • hydroquinone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound