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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:58 UTC
Update Date2025-03-25 00:47:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160134
Frequency0.5
Structure
Chemical FormulaC10H13N3O3
Molecular Mass223.0957
SMILESNc1ccn(C2CC=CC(CO)O2)c(=O)n1
InChI KeyXCGYEIVKJJFVIP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrans
  • Substituents
  • alcohol
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • pyran
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • amine
  • organooxygen compound