Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:05:52 UTC
Update Date2025-03-21 23:07:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00641107
Frequency2.5
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(C)OC=CC(=O)O
InChI KeyJZRZREWRJKPOKG-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
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • vinylogous ester
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound