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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:44:38 UTC
Update Date2025-03-21 18:49:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00168467
Frequency14.0
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESOCC1OC(O)C2OC12
InChI KeyOKNJQMFVESGAOO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • epoxides
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • primary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • hemiacetal
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound