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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:55 UTC
Update Date2025-03-21 18:37:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115002
Frequency22.9
Structure
Chemical FormulaC9H12O8S
Molecular Mass280.0253
SMILESO=S(=O)(O)OCOc1cc(C(O)CO)ccc1O
InChI KeyLUVHOVFCOUXDTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl sulfates
  • aromatic alcohols
  • hydrocarbon derivatives
  • organic oxides
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • aromatic alcohol
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • secondary alcohol
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • sulfuric acid ester
  • primary alcohol
  • organooxygen compound
  • 1,2-diol