| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:01 UTC |
|---|
| Update Date | 2025-03-21 18:06:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062236 |
|---|
| Frequency | 49.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15BrN2O2 |
|---|
| Molecular Mass | 286.0317 |
|---|
| SMILES | CN(CCCC(O)c1ccc(Br)cc1)N=O |
|---|
| InChI Key | BGMNEMCLWAWALA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsaryl bromidesbromobenzeneshydrocarbon derivativesorganic n-nitroso compoundsorganic oxidesorganobromidesorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholorganic nitroso compoundbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
|---|
