| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:04 UTC |
|---|
| Update Date | 2025-03-25 01:01:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249537 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11BrO |
|---|
| Molecular Mass | 213.9993 |
|---|
| SMILES | Cc1cc(C)c(Br)c(C)c1O |
|---|
| InChI Key | VSQMGDQCIKJAKL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | halophenols |
|---|
| Direct Parent | halophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl bromidesbromobenzeneshydrocarbon derivativesm-bromophenolsorganobromidesorganooxygen compoundsortho cresolspara cresols |
|---|
| Substituents | 3-halophenolmonocyclic benzene moietybromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundp-cresolo-cresolorganobromide3-bromophenolhydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
|---|
