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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:57 UTC
Update Date2025-03-21 18:28:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00074031
Frequency40.2
Structure
Chemical FormulaC39H53N3O8
Molecular Mass691.3833
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2c(CCC(=O)O)c(C)c(CC3NC(=O)C(CC)C3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChI KeyZHTOCCSJPMCGDE-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
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • pyrrolines
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
  • m-xylenes
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • 3-phenylpropanoic-acid
  • tricarboxylic acid or derivatives
  • carboxylic acid derivative
  • xylene
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • m-xylene
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound