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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:07 UTC
Update Date2025-03-25 00:47:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162694
Frequency0.5
Structure
Chemical FormulaC14H11F3N2O3
Molecular Mass312.0722
SMILESO=C(CO)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChI KeyMQKVCHVEBAFIEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent diarylethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • alkyl fluorides
  • anilides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-arylamides
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • polyhalopyridines
  • secondary carboxylic acid amides
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • 2-halopyridine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • alkyl fluoride
  • organofluoride
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • anilide
  • secondary carboxylic acid amide
  • pyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound