Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:22 UTC
Update Date2025-03-25 00:56:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216047
Frequency0.5
Structure
Chemical FormulaC11H20O3
Molecular Mass200.1412
SMILESCCCCC=CC(O)C(C)OC(C)=O
InChI KeyJASSFBOROOAPDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty alcohol esters
Direct Parent fatty alcohol esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • fatty alcohols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • fatty alcohol ester
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • fatty alcohol
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound