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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:39 UTC
Update Date2025-03-25 00:59:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239294
Frequency0.5
Structure
Chemical FormulaC13H18O10S
Molecular Mass366.0621
SMILESO=S(=O)(O)OC1C(Cc2ccc(O)c(O)c2)OC(CO)C(O)C1O
InChI KeyUIPUEIGLWSMBFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl sulfates
  • benzene and substituted derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • dialkyl ether
  • saccharide
  • organic oxide
  • alkyl sulfate
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound