Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:20:05 UTC
Update Date2025-03-24 14:16:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00818799
Frequency1.8
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESC=CC(O)CC(=O)OC
InChI KeyUTCRVZVKKKHINJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • fatty acid methyl esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • fatty acid ester
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • fatty acid methyl ester
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound