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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:14 UTC
Update Date2025-03-21 18:35:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105996
Frequency25.4
Structure
Chemical FormulaC12H22O2
Molecular Mass198.162
SMILESC=CC1(C)CCC(CCC(C)(C)O)O1
InChI KeyUUGJACJKMIYBCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydrofurans
Subclass tetrahydrofurans
Direct Parent tetrahydrofurans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
    • Substituents
  • alcohol
  • oxacycle
  • tertiary alcohol
  • ether
  • organic oxygen compound
  • tetrahydrofuran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound