| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:35 UTC |
|---|
| Update Date | 2025-03-21 18:01:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00032743 |
|---|
| Frequency | 111.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7BrO3 |
|---|
| Molecular Mass | 229.9579 |
|---|
| SMILES | O=C(O)Cc1ccc(O)c(Br)c1 |
|---|
| InChI Key | BFVCOQXPSXVGPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | halophenols |
|---|
| Direct Parent | halophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenearyl bromide2-bromophenolorganooxygen compound |
|---|
