Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:10 UTC
Update Date2025-03-21 18:35:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103408
Frequency26.3
Structure
Chemical FormulaC10H20O3
Molecular Mass188.1412
SMILESCC(C)C(=O)OC(C)C(C)(C)CO
InChI KeyQXABAIDBDFIYIC-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
  • alcohols and polyols
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound