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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:49 UTC
Update Date2025-03-21 18:04:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050097
Frequency65.7
Structure
Chemical FormulaC11H14O9S
Molecular Mass322.0359
SMILESO=C(CCC(O)Cc1cc(O)c(O)cc1O)OS(=O)(=O)O
InChI KeyGTDBIARSGFWTCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • benzene and substituted derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound