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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:06 UTC
Update Date2025-03-21 18:36:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112997
Frequency23.4
Structure
Chemical FormulaC13H17N5O5
Molecular Mass323.123
SMILESCN(C)c1cnc2c(ncn2C2OC(CO)C(O)C2O)c(=O)n1
InChI KeyGKYRRDUKQYQWQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent dialkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-diazepines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • monosaccharide
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organopnictogen compound
  • dialkylarylamine
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • vinylogous amide
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • para-diazepine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound