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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:25:11 UTC
Update Date2025-03-24 20:03:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01118440
Frequency1.2
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCC12C=CC(C)(C)C(C1)O2
InChI KeyFJVGONVLISFEIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxetanes
    • Substituents
  • aliphatic heteropolycyclic compound
  • oxacycle
  • ether
  • organic oxygen compound
  • pyran
  • oxetane
  • hydrocarbon derivative
  • dialkyl ether
  • organooxygen compound