| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:20 UTC |
|---|
| Update Date | 2025-03-21 18:00:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025081 |
|---|
| Frequency | 154.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H16BrNO |
|---|
| Molecular Mass | 257.0415 |
|---|
| SMILES | CN(C)CCC(O)c1ccc(Br)cc1 |
|---|
| InChI Key | ZETRBUSOGWVKNQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | halobenzenes |
|---|
| Direct Parent | bromobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1,3-aminoalcoholsaromatic alcoholsaryl bromideshydrocarbon derivativesorganobromidesorganopnictogen compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholalcohol1,3-aminoalcoholtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaryl bromideaminetertiary amineorganooxygen compound |
|---|
