Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:01:21 UTC
Update Date2025-03-25 01:16:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02342507
Frequency0.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCOC=C(C)C(=O)OC
InChI KeyXEQYPQHAQCSASZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous esters
Subclass vinylogous esters
Direct Parent vinylogous esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • aliphatic acyclic compound
  • carbonyl group
  • vinylogous ester
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound