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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:21 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183842
Frequency0.5
Structure
Chemical FormulaC12H12O8S
Molecular Mass316.0253
SMILESO=C1CC(c2ccc(O)c(O)c2)CC(OS(=O)(=O)O)=C1O
InChI KeyBKPRSSPCNCSVAX-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • cyclohexenones
  • hydrocarbon derivatives
  • organic oxides
  • sulfuric acid monoesters
    • Substituents
  • cyclohexenone
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • cyclic ketone
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound