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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:31:32 UTC
Update Date2025-03-24 14:27:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00846640
Frequency1.7
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESC1CC2COC(O1)O2
InChI KeyWVFGYBBPPORRQC-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-dioxanes
  • 1,3-dioxolanes
  • carboxylic acid orthoesters
  • hydrocarbon derivatives
  • ortho esters
  • oxacyclic compounds
    • Substituents
  • 1,3-dioxepane
  • meta-dioxolane
  • ortho ester
  • carboxylic acid orthoester
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • orthocarboxylic acid derivative
  • meta-dioxane
  • organooxygen compound