Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:17:35 UTC
Update Date2025-03-24 21:34:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01819676
Frequency0.7
Structure
Chemical FormulaC8H7FO
Molecular Mass138.0481
SMILESO=CCc1ccc(F)cc1
InChI KeyKCXZRESSSSYYCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylacetaldehydes
Direct Parent phenylacetaldehydes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • aryl fluorides
  • fluorobenzenes
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aryl fluoride
  • carbonyl group
  • organofluoride
  • aldehyde
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • fluorobenzene
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • halobenzene
  • organooxygen compound
  • phenylacetaldehyde