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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:38 UTC
Update Date2025-03-25 01:01:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02246263
Frequency0.5
Structure
Chemical FormulaC10H16O9S
Molecular Mass312.0515
SMILESCC1(C)OC2COC3(COS(=O)(=O)O)OCC(O3)C2O1
InChI KeyDEDQTCZRSXUYJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,3-dioxepanes
Direct Parent 1,3-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • alkyl sulfates
  • carboxylic acid orthoesters
  • hydrocarbon derivatives
  • ketals
  • organic oxides
  • ortho esters
  • oxacyclic compounds
  • sulfuric acid monoesters
    • Substituents
  • 1,3-dioxepane
  • meta-dioxolane
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • ortho ester
  • carboxylic acid orthoester
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • acetal
  • ketal
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • sulfuric acid ester
  • organooxygen compound