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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:02 UTC
Update Date2025-03-25 00:47:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160257
Frequency0.5
Structure
Chemical FormulaC11H6F11N5O
Molecular Mass433.0397
SMILESNc1nc(=O)c2c([nH]1)=NCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N=2
InChI KeyHSSAEPUVXPHABW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • vinylogous amides
    • Substituents
  • vinylogous amide
  • pterin
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • pyrimidone
  • organohalogen compound
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound