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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:27:00 UTC
Update Date2025-03-24 21:38:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01841367
Frequency0.7
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1(C)COC1(C)C=O
InChI KeyQKFPKSZTGFHVII-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxetanes
Subclass oxetanes
Direct Parent oxetanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • oxetane
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound