Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:42 UTC
Update Date2025-03-25 00:46:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155154
Frequency0.5
Structure
Chemical FormulaC8H10O3
Molecular Mass154.063
SMILESCC(=O)C1=C(C)OCC(=O)C1
InChI KeyZIAIOMUJGMDZBE-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