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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:44 UTC
Update Date2025-03-25 00:55:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212311
Frequency0.5
Structure
Chemical FormulaC25H31N3O4
Molecular Mass437.2315
SMILESC=CC1=C(C)C(=Cc2[nH]c(CC3NC(=O)C(C)=C3CC)c(C)c2CCC(=O)OC)NC1=O
InChI KeyQMGMTIWXXXWEHE-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 heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • pyrroline
  • carboxylic acid ester
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound