Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:20:25 UTC
Update Date2025-03-24 16:47:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00963681
Frequency1.5
Structure
Chemical FormulaC4H4O4
Molecular Mass116.011
SMILESCOC1=C(O)C(=O)O1
InChI KeyLUBHCLIHRDTJAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous esters
Subclass vinylogous esters
Direct Parent vinylogous esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxetenes
  • Substituents
  • carbonyl group
  • vinylogous ester
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxetene
  • organoheterocyclic compound
  • organooxygen compound