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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:36 UTC
Update Date2025-03-25 00:59:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236936
Frequency0.5
Structure
Chemical FormulaC11H14O8S
Molecular Mass306.0409
SMILESO=C(CCCc1cc(O)ccc1O)OCOS(=O)(=O)O
InChI KeyLEEPJZLTRHGSJB-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
  • alkyl sulfates
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroquinone
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound