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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:54 UTC
Update Date2025-03-25 00:50:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180581
Frequency0.5
Structure
Chemical FormulaC31H36N2O2
Molecular Mass468.2777
SMILESCOc1ccc(C(CCCN2CCC(c3c[nH]c4ccccc34)CC2)c2ccc(OC)cc2)cc1
InChI KeyQRZWDLHTAWMSPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • methoxybenzenes
  • organopnictogen compounds
  • phenoxy compounds
  • phenylbutylamines
  • piperidines
  • pyrroles
  • trialkylamines
  • Substituents
  • diphenylmethane
  • phenol ether
  • ether
  • indole
  • alkyl aryl ether
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • indole or derivatives
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • organooxygen compound