| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:09 UTC |
|---|
| Update Date | 2025-03-25 00:49:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176563 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H28FN3O |
|---|
| Molecular Mass | 381.2216 |
|---|
| SMILES | CN(CCCCN)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 |
|---|
| InChI Key | UGPJDCKWTWJREV-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 | aryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | aryl fluorideethernitrileorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
