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Record Information
HMDB Statuspredicted
Creation Date2024-02-21 00:18:33 UTC
Update Date2025-03-21 18:35:41 UTC
HMDB IDHMDB0125626
Metabolite Identification
DeepMet IDDMID00106786
Name{[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}sulfonic acid
Frequency25.2
Structure
Chemical FormulaC12H22O14S
Molecular Mass422.073
SMILESO=S(=O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyTXHGZCUEXAVTMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • monosaccharide
  • oxacycle
  • saccharide
  • organic oxide
  • ketal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • oxane
  • sulfuric acid ester
  • primary alcohol
  • organoheterocyclic compound