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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:25 UTC
Update Date2025-03-25 00:45:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152116
Frequency0.5
Structure
Chemical FormulaC8H14N4O2
Molecular Mass198.1117
SMILESNC(CO)C(=O)C(N)Cc1c[nH]cn1
InChI KeyFDDRYCAHCYPEFQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy ketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • primary alcohol
  • organoheterocyclic compound
  • azole