Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:12 UTC
Update Date2025-03-21 18:35:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103480
Frequency26.3
Structure
Chemical FormulaC26H40O4
Molecular Mass416.2927
SMILESCCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(=O)CC(O)C3)C21
InChI KeyPQVBTMOGSRIIGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • cyclic ketone
  • cyclic alcohol
  • carboxylic acid derivative
  • aliphatic homopolycyclic compound
  • ketone
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound