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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:10 UTC
Update Date2025-03-25 00:51:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185713
Frequency0.5
Structure
Chemical FormulaC14H13N5O4
Molecular Mass315.0968
SMILESNc1nc(=O)c2c([nH]1)NCC(C(O)c1ccc3c(c1)OCO3)=N2
InChI KeyYKGYKEIJLYHOJI-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
  • acetals
  • aromatic alcohols
  • azacyclic compounds
  • benzenoids
  • benzodioxoles
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • aromatic alcohol
  • ketimine
  • imine
  • pyrimidone
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • acetal
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • benzodioxole
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound