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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:37 UTC
Update Date2025-03-25 00:47:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163827
Frequency0.5
Structure
Chemical FormulaC12H21NO12S2
Molecular Mass435.0505
SMILESCC1(C)OC2COC3(COS(N)(=O)=O)OCC(COS(=O)(=O)O)OC3C2O1
InChI KeyFLJPKTRLBFILDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxolopyrans
Subclass dioxolopyrans
Direct Parent dioxolopyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • 1,4-dioxanes
  • alkyl sulfates
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic nitrogen compounds
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • sulfuric acid monoesters
    • Substituents
  • meta-dioxolane
  • sulfuric acid monoester
  • ether
  • organic sulfuric acid or derivatives
  • monosaccharide
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxide
  • organic oxygen compound
  • acetal
  • para-dioxane
  • ketal
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • sulfuric acid ester
  • dioxolopyran
  • organooxygen compound