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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:49:31 UTC
Update Date2025-03-21 22:57:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00603220
Frequency2.7
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOC1CC2CC(CO2)C1O
InChI KeyFRXQZDKMQMZKIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxepane
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol