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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:08 UTC
Update Date2025-03-25 01:00:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245093
Frequency0.5
Structure
Chemical FormulaC11H13N3O
Molecular Mass203.1059
SMILESCNC(=O)C(N)c1c[nH]c2ccccc12
InChI KeyCDDRDZJWOHWUHD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • alpha-amino acid amide
  • azacycle
  • indole
  • heteroaromatic compound
  • indole or derivatives
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound