| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:06 UTC |
|---|
| Update Date | 2025-03-21 18:34:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00103244 |
|---|
| Frequency | 26.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7BrO |
|---|
| Molecular Mass | 185.968 |
|---|
| SMILES | Cc1cc(Br)ccc1O |
|---|
| InChI Key | IWJGMJHAIUBWKT-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 bromidesbromobenzeneshydrocarbon derivativesorganobromidesorganooxygen compoundsortho cresolsp-bromophenolstoluenes |
|---|
| Substituents | monocyclic benzene moiety4-bromophenol1-hydroxy-2-unsubstituted benzenoidbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compound4-halophenolo-cresolorganobromidehydrocarbon derivativehalobenzenearyl bromidetolueneorganooxygen compound |
|---|
