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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:36 UTC
Update Date2025-03-25 00:45:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150211
Frequency0.5
Structure
Chemical FormulaC19H33NO13S
Molecular Mass515.1673
SMILESCC1(C)OC2COC3C(COC4(COS(N)(=O)=O)OC(CO)C(O)C4O)OC(C)(C)OC3C2O1
InChI KeyKJRWUDPAOGZZIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyranodioxins
Subclass pyranodioxins
Direct Parent pyranodioxins
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,3-dioxolanes
  • dialkyl ethers
  • dioxolopyrans
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • meta-dioxolane
  • ether
  • monosaccharide
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • oxane
  • primary alcohol
  • dioxolopyran
  • alcohol
  • organic sulfuric acid or derivatives
  • pyranodioxin
  • tetrahydrofuran
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • meta-dioxane
  • organooxygen compound