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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:09 UTC
Update Date2025-03-25 01:01:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249724
Frequency0.5
Structure
Chemical FormulaC11H14O6S
Molecular Mass274.0511
SMILESCc1ccc(O)c(CCC(=O)OS(=O)(=O)O)c1C
InChI KeyPQTLGRFAFAOXDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass cresols
Direct Parent meta cresols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • para cresols
  • sulfuric acid monoesters
  • o-xylenes
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • m-cresol
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • xylene
  • organic oxide
  • monocarboxylic acid or derivatives
  • o-xylene
  • organic oxygen compound
  • p-cresol
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound