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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:41 UTC
Update Date2025-03-25 00:53:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198225
Frequency0.5
Structure
Chemical FormulaC18H31NO11S
Molecular Mass469.1618
SMILESCC1(C)OC2COC3C(COC4(COS(N)(=O)=O)OC(C)(C)O4)OC(C)(C)OC3C2O1
InChI KeyHUBBVJSVSQJKAW-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
  • dioxetanes
  • dioxolopyrans
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • oxanes
    • Substituents
  • meta-dioxolane
  • ether
  • organic sulfuric acid or derivatives
  • pyranodioxin
  • monosaccharide
  • 1,3-dioxetane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • ketal
  • hydrocarbon derivative
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • oxane
  • dioxolopyran
  • meta-dioxane
  • organooxygen compound