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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:33 UTC
Update Date2025-03-25 00:51:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188870
Frequency0.5
Structure
Chemical FormulaC9H14N4O3
Molecular Mass226.1066
SMILESCC(O)C(O)C1CNc2[nH]ncc(=O)c2N1
InChI KeyKKFVOABSYFJJDO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyridazines and derivatives
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyridazine
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound
  • 1,2-diol