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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:10 UTC
Update Date2025-03-25 00:47:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165127
Frequency0.5
Structure
Chemical FormulaC13H20O2
Molecular Mass208.1463
SMILESCC=CC(=O)C1=C(C)C(C)OCC1(C)C
InChI KeyKVFBVXZZGFMBKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • oxacyclic compounds
    • Substituents
  • carbonyl group
  • ether
  • alpha,beta-unsaturated ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound