| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:58:47 UTC |
|---|
| Update Date | 2025-03-21 18:05:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059273 |
|---|
| Frequency | 53.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H4BrNO2 |
|---|
| Molecular Mass | 224.9425 |
|---|
| SMILES | O=C1Nc2ccc(Br)cc2C1=O |
|---|
| InChI Key | MBVCESWADCIXJN-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 bromidesaryl ketonesazacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl grouplactamindolecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddihydroindolevinylogous amideazacyclecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compoundaryl ketone |
|---|
