| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:12 UTC |
|---|
| Update Date | 2025-03-21 18:02:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00039030 |
|---|
| Frequency | 89.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11BrN2 |
|---|
| Molecular Mass | 238.0106 |
|---|
| SMILES | NCCc1c[nH]c2cc(Br)ccc12 |
|---|
| InChI Key | JMJWBINWUCHDRO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indoles |
|---|
| Direct Parent | indoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl bromidesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | azacycleindoleheteroaromatic compoundorganohalogen compoundaryl halidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaryl bromide |
|---|
