Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:03:35 UTC
Update Date2025-03-21 20:46:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00351414
Frequency5.4
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESCC1=CC(=O)CC(O)O1
InChI KeyYXLBZAGAJSVREN-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
  • hemiacetals
  • 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
  • hemiacetal
  • hydrocarbon derivative
  • organooxygen compound