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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:21 UTC
Update Date2025-03-21 18:37:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113626
Frequency23.3
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESOC1CC2CCC(C1)O2
InChI KeyCSGTZGMKSPXFEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organooxygen compound