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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:37 UTC
Update Date2025-03-21 18:40:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130933
Frequency29.3
Structure
Chemical FormulaC10H7F2NO2
Molecular Mass211.0445
SMILESOc1ccc2cc(OC(F)F)ccc2n1
InChI KeyHRPAMJNZQNWAJS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass quinolones and derivatives
Direct Parent quinolones and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkyl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organofluorides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • phenol ethers
  • polyhalopyridines
  • Substituents
  • phenol ether
  • quinolone
  • azacycle
  • polyhalopyridine
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • organohalogen compound
  • pyridine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • organooxygen compound