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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:13 UTC
Update Date2025-03-25 00:51:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185817
Frequency0.5
Structure
Chemical FormulaC8H10N6O3
Molecular Mass238.0814
SMILESNc1nc2c(N)nc(C(O)CO)nc2c(=O)[nH]1
InChI KeyMALUIVPUQKIPLW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • amine
  • organooxygen compound
  • 1,2-diol