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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:45 UTC
Update Date2025-03-25 00:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219262
Frequency0.5
Structure
Chemical FormulaC17H23NO
Molecular Mass257.178
SMILESCOc1ccc2c(c1)CC1CC23CCCCC3N1C
InChI KeyFVUNUPMRGPUWBK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • azepines
  • hydrocarbon derivatives
  • indoles
  • n-alkylpyrrolidines
  • organopnictogen compounds
  • tetralins
  • trialkylamines
    • Substituents
  • tetralin
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • indole or derivatives
  • organic oxygen compound
  • azepine
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • benzazepine
  • amine
  • organooxygen compound