| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:03 UTC |
|---|
| Update Date | 2025-03-21 18:06:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062314 |
|---|
| Frequency | 49.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7BrO |
|---|
| Molecular Mass | 185.968 |
|---|
| SMILES | Cc1cccc(Br)c1O |
|---|
| InChI Key | YXZPTVOCJLCMRO-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-4-unsubstituted benzenoidsaryl bromidesbromobenzeneshydrocarbon derivativeso-bromophenolsorganobromidesorganooxygen compoundsortho cresolstoluenes |
|---|
| Substituents | monocyclic benzene moietybromobenzene1-hydroxy-4-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundo-cresolorganobromidehydrocarbon derivativehalobenzenearyl bromide2-bromophenoltolueneorganooxygen compound |
|---|
