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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:06 UTC
Update Date2025-03-25 01:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251927
Frequency0.5
Structure
Chemical FormulaC12H16O9S
Molecular Mass336.0515
SMILESO=S(=O)(O)OC1OC(O)C(O)C(O)C1OCc1ccccc1
InChI KeyOUJLJXIPCAOKPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzylethers
Direct Parent benzylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • ether
  • benzylether
  • aromatic heteromonocyclic compound
  • monosaccharide
  • dialkyl ether
  • saccharide
  • organic oxide
  • alkyl sulfate
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound