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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:11 UTC
Update Date2025-03-25 00:51:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188056
Frequency0.5
Structure
Chemical FormulaC24H21ClFNO4
Molecular Mass441.1143
SMILESCC(=O)Nc1ccc(OCC2COC(c3ccc(F)cc3)(c3ccc(Cl)cc3)O2)cc1
InChI KeyMTICMHSYOWUOPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • acetamides
  • acetanilides
  • alkyl aryl ethers
  • aryl chlorides
  • aryl fluorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chlorobenzenes
  • fluorobenzenes
  • hydrocarbon derivatives
  • ketals
  • n-acetylarylamines
  • organic oxides
  • organochlorides
  • organofluorides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • aryl fluoride
  • diphenylmethane
  • phenol ether
  • meta-dioxolane
  • carbonyl group
  • ether
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • organochloride
  • n-arylamide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organohalogen compound
  • fluorobenzene
  • organic oxide
  • acetal
  • ketal
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • aryl chloride
  • chlorobenzene
  • acetanilide
  • organofluoride
  • carboxamide group
  • aryl halide
  • anilide
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • organooxygen compound