Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:36:38 UTC
Update Date2025-03-21 17:57:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00007614
Frequency659.2
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(=O)CCOC(C)=O
InChI KeyNWCYECXHIYEBJE-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
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • ketone
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound