| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:21 UTC |
|---|
| Update Date | 2025-03-21 18:28:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074982 |
|---|
| Frequency | 39.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H20N2O2 |
|---|
| Molecular Mass | 308.1525 |
|---|
| SMILES | COc1ccc(C2(CCCN)OCc3cc(C#N)ccc32)cc1 |
|---|
| InChI Key | RCTIYKYSXLIVID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesdialkyl ethershydrocarbon derivativesisocoumaransmethoxybenzenesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compounds |
|---|
| Substituents | phenol etherethernitrilealkyl aryl ethermethoxybenzenedialkyl etheroxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundcarbonitrileorganoheterocyclic compoundorganooxygen compound |
|---|
