Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:07:15 UTC
Update Date2025-03-24 21:02:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01651294
Frequency0.8
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCOC1(C)C=COC(=O)C1
InChI KeyRFSXCJWRJPVKCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dialkyl ethers
  • enol esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • ether
  • dihydropyranone
  • carboxylic acid derivative
  • dialkyl ether
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound