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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:42 UTC
Update Date2025-03-25 00:48:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170890
Frequency0.5
Structure
Chemical FormulaC11H14N4O6
Molecular Mass298.0913
SMILESCNc1nc(=O)c2c(ncn2C2OC(CO)C(O)C2O)o1
InChI KeyJKTBJURUBBPNTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • monosaccharide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound