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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:26 UTC
Update Date2025-03-21 18:36:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00108983
Frequency24.6
Structure
Chemical FormulaC6H10O5
Molecular Mass162.0528
SMILESOC1COC2OCC(O2)C1O
InChI KeyCFOASTGWNNVGNX-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
  • 1,2-diols
  • 1,3-dioxolanes
  • carboxylic acid orthoesters
  • hydrocarbon derivatives
  • ortho esters
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 1,3-dioxepane
  • meta-dioxolane
  • ortho ester
  • carboxylic acid orthoester
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • organooxygen compound
  • 1,2-diol