| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:51 UTC |
|---|
| Update Date | 2025-03-21 18:04:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047798 |
|---|
| Frequency | 69.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H13BrN2O |
|---|
| Molecular Mass | 280.0211 |
|---|
| SMILES | CC(=O)NCCc1c[nH]c2cc(Br)ccc12 |
|---|
| InChI Key | JLNZJPQCXFUSES-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 | acetamidesaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupindolecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundacetamideazacycleheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compound |
|---|
