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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:48:46 UTC
Update Date2025-03-24 21:47:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01893000
Frequency0.6
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCC1COC(C)(C)C1=O
InChI KeyLHRKXDWDKWUCTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • ether
  • tetrahydrofuran
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound