Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:05 UTC
Update Date2025-03-25 00:55:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213169
Frequency0.5
Structure
Chemical FormulaC20H30O5
Molecular Mass350.2093
SMILESCCCCCCCC(=O)OCOC(=O)CCC(O)Cc1ccccc1
InChI KeyZHFNLQBTFGYLBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetals
  • acylals
  • benzene and substituted derivatives
  • carbonyl compounds
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • acylal
  • fatty acid ester
  • organic oxide
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound