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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:29 UTC
Update Date2025-03-25 00:57:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223302
Frequency0.5
Structure
Chemical FormulaC13H17N3O2
Molecular Mass247.1321
SMILESNC1=Nc2ccccc2NC1CCCCC(=O)O
InChI KeyKKTBNBJPSKBVGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazanaphthalenes
Subclass benzodiazines
Direct Parent quinoxalines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • amino acids
  • amino fatty acids
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • diazanaphthalenes
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidolactams
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alkylarylamines
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • fatty acid
  • amidine
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • imidolactam
  • quinoxaline
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • amino fatty acid
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound