Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:15 UTC
Update Date2025-03-21 18:35:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103608
Frequency26.2
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESCCCOC(=O)CC(C)=O
InChI KeyDHGFMVMDBNLMKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass beta-keto acids and derivatives
Direct Parent beta-keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • beta-keto acid
  • ketone
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound