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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:17 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160793
Frequency0.5
Structure
Chemical FormulaC11H12F3N5O5
Molecular Mass351.0791
SMILESNc1nc2c(C(F)(F)F)nn(C3OC(CO)C(O)C3O)c2c(=O)[nH]1
InChI KeyZHNQPZUARYIMIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrazolopyrimidines
Subclass pyrazolopyrimidines
Direct Parent pyrazolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monosaccharides
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrazoles
  • pyrimidones
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • lactam
  • monosaccharide
  • pyrimidone
  • organohalogen compound
  • pyrazole
  • pyrimidine
  • saccharide
  • organic oxide
  • pyrazolopyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • primary alcohol
  • azole
  • alcohol
  • azacycle
  • tetrahydrofuran
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound