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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:35 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163760
Frequency0.5
Structure
Chemical FormulaC12H21NO7S
Molecular Mass323.1039
SMILESCC1(C)CC2C(O1)OC1(COS(N)(=O)=O)OC(C)(C)OC21
InChI KeyILRCDFWVWMVKFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classfurofurans
Subclass furofurans
Direct Parent furofurans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • ketals
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • meta-dioxolane
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • furofuran
  • ketal
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound