Hmdb loader

Showing information for DMID02154075

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:14 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154075
Frequency0.5
Structure
Chemical FormulaC11H11F3O3
Molecular Mass248.066
SMILESCOc1cc(CCC(=O)C(F)(F)F)ccc1O
InChI KeyFLDDHYYXNOSVJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl fluorides
  • alpha-haloketones
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organofluorides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • alkyl fluoride
  • organofluoride
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • organohalogen compound
  • methoxybenzene
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • anisole
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound