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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:26:06 UTC
Update Date2025-03-24 20:45:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01553125
Frequency0.8
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESC1CC2CC(CO2)O1
InChI KeyUCTGPBWORFETEK-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
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • tetrahydrofurans
    • Substituents
  • ether
  • tetrahydrofuran
  • 1,4-dioxepane
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound