Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:22:22 UTC
Update Date2025-03-24 21:09:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01687942
Frequency0.7
Structure
Chemical FormulaC3H2F3NO2
Molecular Mass141.0038
SMILESNC(=O)C(=O)C(F)(F)F
InChI KeyCHPNOFQSSFZEBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-haloketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • carboxamide group
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound