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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:27:22 UTC
Update Date2025-03-24 21:11:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01699849
Frequency0.7
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESOC1OCC2OCC12
InChI KeyKRUIMDJXSNJDQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxepanes
Subclass 1,4-dioxepanes
Direct Parent 1,4-dioxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
    • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound