| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:28 UTC |
|---|
| Update Date | 2025-03-21 18:04:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00049280 |
|---|
| Frequency | 67.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H13ClINO |
|---|
| Molecular Mass | 372.973 |
|---|
| SMILES | NCCc1ccc(Oc2ccc(Cl)cc2)c(I)c1 |
|---|
| InChI Key | PKRQUFVJHVDMLQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesaryl iodideschlorobenzenesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganochloridesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
|---|
| Substituents | diaryl etherphenol etheretherorganochlorideorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
|---|
