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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:27 UTC
Update Date2025-03-21 18:33:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096730
Frequency28.6
Structure
Chemical FormulaC11H11N3O2
Molecular Mass217.0851
SMILESC=CC1=C(C)C(=CC2=NCC(=O)N2)NC1=O
InChI KeyVICXIUCRIBUGDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • imidazolinones
  • lactams
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • imidazolinone
  • organoheterocyclic compound
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • 2-imidazoline
  • imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound