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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:44 UTC
Update Date2025-03-21 18:35:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104783
Frequency25.8
Structure
Chemical FormulaC5H8O4
Molecular Mass132.0423
SMILESOC1OC2COC2C1O
InChI KeyNPEAGPINGFGELI-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
  • monosaccharides
  • oxacyclic compounds
  • oxetanes
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • monosaccharide
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • saccharide
  • organic oxygen compound
  • oxetane
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound