Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:34:25 UTC
Update Date2025-03-24 21:14:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01716691
Frequency0.7
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESCC1OCC=CC1=O
InChI KeyZVZGIVRAZRGPTC-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