Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:12 UTC
Update Date2025-03-21 18:41:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134518
Frequency18.7
Structure
Chemical FormulaC18H21NO3
Molecular Mass299.1521
SMILESCOc1ccc2c3c1C1C=CC(O)C4OC(C2)N(C)CCC314
InChI KeyKFWXKOYNXQVAPE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,3-oxazepines
  • alkyl aryl ethers
  • azacyclic compounds
  • hemiaminals
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • azacycle
  • alkyl aryl ether
  • hemiaminal
  • oxacycle
  • organic oxygen compound
  • meta-oxazepine
  • aromatic heteropolycyclic compound
  • anisole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound