Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:01 UTC
Update Date2025-03-25 00:55:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212995
Frequency0.5
Structure
Chemical FormulaC26H42O3
Molecular Mass402.3134
SMILESCCCCCCCCC=CCCCCCCCC(=O)OCCc1cccc(O)c1
InChI KeyWEEMJLNTBZTTQL-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
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxylic acid derivative
  • aromatic homomonocyclic compound
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound