Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:56 UTC
Update Date2025-03-21 18:41:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136211
Frequency18.4
Structure
Chemical FormulaC23H36O5
Molecular Mass392.2563
SMILESO=C(O)CCCCCCCCCCCCCCCOC(=O)c1ccccc1O
InChI KeyJPBNOJBXJCGNIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent long-chain fatty acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzoyl derivatives
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • organic oxides
  • salicylic acid and derivatives
  • vinylogous acids
  • o-hydroxybenzoic acid esters
  • Substituents
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • long-chain fatty acid
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzoate ester
  • carboxylic acid derivative
  • organic oxide
  • hydroxy fatty acid
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • salicylic acid or derivatives
  • o-hydroxybenzoic acid ester
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound