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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:41 UTC
Update Date2025-03-25 00:56:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02216774
Frequency0.5
Structure
Chemical FormulaC27H34N2O5
Molecular Mass466.2468
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2ccc(C(C)C(=O)O)cc2C)c(CCC(=O)O)c1C
InChI KeyWYSDZDWHTMEFKO-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
  • aromatic monoterpenoids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocyclic monoterpenoids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
  • toluenes
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • p-cymene
  • carboxylic acid derivative
  • organic oxide
  • 2-phenylpropanoic-acid
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • organooxygen compound
  • aromatic monoterpenoid