Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:47:16 UTC
Update Date2025-03-25 00:27:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02031817
Frequency0.6
Structure
Chemical FormulaC7H10O3
Molecular Mass142.063
SMILESCC1=CC(=O)COC1CO
InChI KeyHIPLHHFLUNGNJG-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
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • primary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • dihydropyranone
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound