| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:33 UTC |
|---|
| Update Date | 2025-03-21 18:03:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042232 |
|---|
| Frequency | 81.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18BrNO |
|---|
| Molecular Mass | 271.0572 |
|---|
| SMILES | CN(C)CCCC(O)c1ccc(Br)cc1 |
|---|
| InChI Key | GZTREYZJMOCZIX-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 derivativesorganobromidesorganopnictogen compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholalcoholtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amineorganooxygen compound |
|---|
