| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:59 UTC |
|---|
| Update Date | 2025-03-25 00:57:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02224416 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15BrO7 |
|---|
| Molecular Mass | 362.0001 |
|---|
| SMILES | O=C(O)C1C(O)C(O)C(O)C(O)C1Oc1ccc(Br)cc1 |
|---|
| InChI Key | VZMQDWHGIVEDEM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersaryl bromidesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidealcoholcyclohexanolbromobenzenecyclitol or derivativeshydroxy acidcyclic alcoholaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
|---|
