Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:37:00 UTC
Update Date2025-03-25 01:07:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02285988
Frequency0.5
Structure
Chemical FormulaC8H10O2
Molecular Mass138.0681
SMILESC=C1OC(C)C(C)=CC1=O
InChI KeySOBPUZMMBNROJU-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
  • Substituents
  • carbonyl group
  • dihydropyranone
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound