Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:56:45 UTC
Update Date2025-03-24 20:57:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01625713
Frequency0.8
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC(=O)C(C)COC=O
InChI KeyJNFGZZJOMOPLFQ-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