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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:08 UTC
Update Date2025-03-25 00:47:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162755
Frequency0.5
Structure
Chemical FormulaC24H31N3O3
Molecular Mass409.2365
SMILESC=CC1=C(C)C(=O)NC1=Cc1[nH]c(CC2NC(C)C(C)=C2C)c(C)c1CCC(=O)O
InChI KeyMGIYVYKFBVZZHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • secondary aliphatic amine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine