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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:40 UTC
Update Date2025-03-21 18:29:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00075717
Frequency39.0
Structure
Chemical FormulaC9H2F17NO
Molecular Mass462.9865
SMILESNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI KeyIGRZVTLQMRLRQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classalkyl halides
Subclass alkyl fluorides
Direct Parent perfluorooctanoic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • organofluoride
  • fatty amide
  • perfluorooctanoic acid or derivatives
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound