| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:37 UTC |
|---|
| Update Date | 2025-03-25 00:47:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161538 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H11BrI3NO |
|---|
| Molecular Mass | 668.7158 |
|---|
| SMILES | NCCc1cc(I)c(Oc2ccc(I)cc2Br)c(I)c1 |
|---|
| InChI Key | CWGQFKHISMNXRK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | bromodiphenyl ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl bromidesaryl iodidesbromobenzenesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganobromidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
|---|
| Substituents | diaryl etherphenol etheretherbromodiphenyl etherorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundbromobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
|---|
