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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:49 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251277
Frequency0.5
Structure
Chemical FormulaC30H33N3O3
Molecular Mass483.2522
SMILESOC1=NC(CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)C(O)=N1
InChI KeySOBAMHZGROKUQZ-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
  • hydrocarbon derivatives
  • imidazoles
  • organopnictogen compounds
  • phenylbutylamines
  • piperidines
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • tertiary alcohol
  • phenylbutylamine
  • organic oxygen compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound