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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:17:54 UTC
Update Date2025-03-21 22:14:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00527444
Frequency3.2
Structure
Chemical FormulaC5H8O3
Molecular Mass116.0473
SMILESC1OCC2OCC1O2
InChI KeyWMHVNJHNOCHKPS-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-dioxolanes
  • 1,4-dioxanes
  • acetals
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • meta-dioxolane
  • ether
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • acetal
  • para-dioxane
  • hydrocarbon derivative
  • organooxygen compound