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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:01 UTC
Update Date2025-03-21 18:34:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103025
Frequency26.4
Structure
Chemical FormulaC26H32N2O5
Molecular Mass452.2311
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2ccccc2CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyWHKCAYZDGPEFPZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classphenylpropanoic acids
Subclass phenylpropanoic acids
Direct Parent phenylpropanoic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-phenylpropanoic-acid
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound