Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:30:00 UTC
Update Date2025-03-21 23:19:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00698223
Frequency2.2
Structure
Chemical FormulaC8H12O2
Molecular Mass140.0837
SMILESCC1=CC(=O)C(C)OC1C
InChI KeyWKKYAMABCJTUIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • dihydropyranone
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound