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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:07 UTC
Update Date2025-03-25 00:47:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162721
Frequency0.5
Structure
Chemical FormulaC25H30N2O3
Molecular Mass406.2256
SMILESO=C(CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)C1CCC(O)=N1
InChI KeyKWXZISWBPOHIPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • beta-amino ketones
  • cyclic carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • diphenylmethane
  • carbonyl group
  • aromatic heteromonocyclic compound
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • beta-aminoketone
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • tertiary alcohol
  • pyrroline
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • amine
  • organooxygen compound