| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:10 UTC |
|---|
| Update Date | 2025-03-21 18:34:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100886 |
|---|
| Frequency | 27.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9BrO3 |
|---|
| Molecular Mass | 243.9735 |
|---|
| SMILES | O=C(O)CC(O)c1ccc(Br)cc1 |
|---|
| InChI Key | DCWGEPCOLXOSNF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aromatic alcoholsaryl bromidesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbromobenzenehydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromideorganooxygen compound |
|---|
