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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 IDDMID02163846
Frequency0.5
Structure
Chemical FormulaC18H31NO11S
Molecular Mass469.1618
SMILESCC1(C)OC2C(O)C3C(COC4(COS(N)(=O)=O)OC(C)(C)O4)OC(C)(C)OC3C2O1
InChI KeyXRTHITKVDOTZDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • 1,3-dioxolanes
  • cyclic alcohols and derivatives
  • dioxetanes
  • hydrocarbon derivatives
  • organic nitrogen compounds
  • organic oxides
  • organic sulfuric acids and derivatives
  • orthocarboxylic acid derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • meta-dioxolane
  • organic sulfuric acid or derivatives
  • cyclic alcohol
  • 1,3-dioxetane
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • ketal
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • orthocarboxylic acid derivative
  • meta-dioxane
  • organoheterocyclic compound