Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:51 UTC
Update Date2025-03-21 18:01:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030984
Frequency119.5
Structure
Chemical FormulaC4H6O3
Molecular Mass102.0317
SMILESCCOC(=O)C=O
InChI KeyDBPFRRFGLYGEJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent carboxylic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • short-chain aldehydes
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • short-chain aldehyde
  • organic oxygen compound
  • carboxylic acid ester
  • aldehyde
  • hydrocarbon derivative
  • organooxygen compound