Hmdb loader

Showing information for DMID02224256

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:54 UTC
Update Date2025-03-25 00:57:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02224256
Frequency0.5
Structure
Chemical FormulaC10H9F3O3
Molecular Mass234.0504
SMILESO=C(CC(O)c1ccc(O)cc1)C(F)(F)F
InChI KeyULNMYSVARUKWNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-haloketones
  • aromatic alcohols
  • benzene and substituted derivatives
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • secondary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • organohalogen compound
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound