Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:41 UTC
Update Date2025-03-21 18:39:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123882
Frequency20.8
Structure
Chemical FormulaC7H10O2
Molecular Mass126.0681
SMILESCC1(C)CC(=O)C=CO1
InChI KeyRNRSQPBLXUJIAJ-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