Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:45 UTC
Update Date2025-03-25 00:56:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219264
Frequency0.5
Structure
Chemical FormulaC23H31NO3
Molecular Mass369.2304
SMILESCOc1ccc2c(c1)CCC2(CCCN(C)C)c1ccc(OC)c(OC)c1
InChI KeyVOLMVEDXKCOXIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • indanes
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
  • Substituents
  • phenol ether
  • ether
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • alkyl aryl ether
  • methoxybenzene
  • dimethoxybenzene
  • phenylbutylamine
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • tertiary amine
  • organooxygen compound