Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:25 UTC
Update Date2025-03-25 00:54:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206749
Frequency0.5
Structure
Chemical FormulaC9H9FO
Molecular Mass152.0637
SMILESO=C(CF)Cc1ccccc1
InChI KeyDORVUDHGAXTKRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound