Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:05 UTC
Update Date2025-03-21 18:05:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057612
Frequency55.0
Structure
Chemical FormulaC19H23NO
Molecular Mass281.178
SMILESCN(C)CCCC1(c2ccccc2)OCc2ccccc21
InChI KeyRNMJRHMRVJNPGK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • isocoumarans
  • organopnictogen compounds
  • oxacyclic compounds
  • trialkylamines
  • Substituents
  • ether
  • tertiary aliphatic amine
  • dialkyl ether
  • oxacycle
  • phenylbutylamine
  • isocoumaran
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound