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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:10 UTC
Update Date2025-03-25 00:52:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196992
Frequency0.5
Structure
Chemical FormulaC25H35NO7
Molecular Mass461.2414
SMILESCCC1C(=O)NC(Cc2c(C)c(CCC(=O)O)c(C)c(CCC(=O)O)c2CCC(=O)O)C1C
InChI KeyVKPAWHHJFDASFP-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
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • 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
  • m-xylene
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound