| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:29 UTC |
|---|
| Update Date | 2025-03-21 18:04:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00051604 |
|---|
| Frequency | 63.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H17FN2O |
|---|
| Molecular Mass | 296.1325 |
|---|
| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1ccccc1F |
|---|
| InChI Key | ZOJHEWKXQPZRMS-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 derivativesisocoumaransmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | aryl fluorideethernitrileorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundorganofluoridearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
