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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:46:19 UTC
Update Date2025-03-24 17:57:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01025283
Frequency1.4
Structure
Chemical FormulaC5H6O3
Molecular Mass114.0317
SMILESC1OC2C1OC1OC12
InChI KeyMEQFBLRPJMAOIE-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
  • 1,3-dioxanes
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
  • tetrahydrofurans
    • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • oxirane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • hydrocarbon derivative
  • meta-dioxane
  • organooxygen compound