Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:13:35 UTC
Update Date2025-03-24 20:39:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01522771
Frequency0.8
Structure
Chemical FormulaC5H4O4
Molecular Mass128.011
SMILESO=C1C=C(O)C(=O)OC1
InChI KeyBYPADMWHVORCME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyranones and derivatives
Direct Parent dihydropyranones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-acyloxy ketones
  • cyclic ketones
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • vinylogous acids
  • Substituents
  • enoate ester
  • carbonyl group
  • alpha-acyloxy ketone
  • dihydropyranone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound