Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:31:20 UTC
Update Date2025-03-24 14:27:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00846154
Frequency1.7
Structure
Chemical FormulaC5H4O4
Molecular Mass128.011
SMILESO=C1OC=CC(O)C1=O
InChI KeyWVHZQVKEFHAVNM-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
  • enol esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • dihydropyranone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • enol ester
  • organooxygen compound