| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:10 UTC |
|---|
| Update Date | 2025-03-25 00:51:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190280 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H24IN3O2 |
|---|
| Molecular Mass | 465.0913 |
|---|
| SMILES | CC(=O)N1CCN(c2ccc(Oc3ccc(CCN)cc3I)cc2)CC1 |
|---|
| InChI Key | DMLMJDJIFAUWBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylethers |
|---|
| Direct Parent | diphenylethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesamino acids and derivativesaniline and substituted anilinesaryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesn-arylpiperazinesorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpiperazinestertiary carboxylic acid amides |
|---|
| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidepiperazinetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundacetamideazacycleaniline or substituted anilinescarboxamide grouparyl halidephenylpiperazineorganic oxygen compound1,4-diazinanehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletheraminen-arylpiperazineorganooxygen compound |
|---|
