Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:21:46 UTC
Update Date2025-03-21 20:53:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00394561
Frequency4.6
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESCC1=CC(=O)C(O)CO1
InChI KeyFGIRKFUIPQCYJU-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
  • secondary alcohols
  • vinylogous esters
  • Substituents
  • alcohol
  • carbonyl group
  • dihydropyranone
  • vinylogous ester
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound