| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:11 UTC |
|---|
| Update Date | 2025-03-21 18:37:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00118074 |
|---|
| Frequency | 22.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H17FN2O |
|---|
| Molecular Mass | 296.1325 |
|---|
| SMILES | N#Cc1ccc2c(c1)C(CCCN)(c1ccc(F)cc1)CO2 |
|---|
| InChI Key | RAWVABUUGPPHNS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | coumarans |
|---|
| Subclass | 1-phenylcoumarans |
|---|
| Direct Parent | 1-phenylcoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl fluoridesfluorobenzeneshydrocarbon derivativesmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylamines |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietyethernitrilealkyl aryl etherorganohalogen compoundfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrile1-phenylcoumaranorganofluoridearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
