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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:31 UTC
Update Date2025-03-21 18:34:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00101769
Frequency26.8
Structure
Chemical FormulaC14H12N6O3
Molecular Mass312.0971
SMILESNc1nc(=O)c2nc(CNc3ccccc3C(=O)O)cnc2[nH]1
InChI KeyMOZVPWNLNRCQNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • amino acids
  • azacyclic compounds
  • benzoic acids
  • benzoyl derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • phenylalkylamines
  • primary amines
  • pyrazines
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • benzoic acid or derivatives
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound