Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:46 UTC
Update Date2025-03-21 18:03:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042744
Frequency79.8
Structure
Chemical FormulaC6H8O2
Molecular Mass112.0524
SMILESCC1=CC(=O)CCO1
InChI KeyOXQAUABVOFKUNR-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
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous esters
  • Substituents
  • carbonyl group
  • dihydropyranone
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound