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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:23 UTC
Update Date2025-03-25 00:49:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172457
Frequency0.5
Structure
Chemical FormulaC23H27N3O4
Molecular Mass409.2002
SMILESCCC1=C(C)C(=O)NC1Cc1[nH]c(C(=O)c2ccc(N)cc2)c(CCC(=O)O)c1C
InChI KeyWJXHCAFGQHCFJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • aryl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • azacycle
  • aryl-phenylketone
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine