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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:50:44 UTC
Update Date2025-03-21 18:02:47 UTC
HMDB IDHMDB0001200
Metabolite Identification
DeepMet IDDMID00040254
NameN'-Formylkynurenine
Frequency85.9
Structure
Chemical FormulaC11H12N2O4
Molecular Mass236.0797
SMILESNC(CC(=O)c1ccccc1NC=O)C(=O)O
InChI KeyBYHJHXPTQMMKCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • anilides
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • n-arylamide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • vinylogous amide
  • carboxamide group
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • alkyl-phenylketone