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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:17 UTC
Update Date2025-03-25 00:57:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227237
Frequency0.5
Structure
Chemical FormulaC21H25N3O4
Molecular Mass383.1845
SMILESCC(C)NCC(O)COc1ccc(C2(c3ccccc3)N=C(O)N=C2O)cc1
InChI KeyARLKJSXGBBHPSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • imidazoles
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • diphenylmethane
  • phenol ether
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • propargyl-type 1,3-dipolar organic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound
  • amine