| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:37 UTC |
|---|
| Update Date | 2025-03-25 00:50:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02182212 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H9I4NO4 |
|---|
| Molecular Mass | 774.671 |
|---|
| SMILES | O=C(O)C1Cc2c(cc(I)c(Oc3cc(I)c(O)c(I)c3)c2I)N1 |
|---|
| InChI Key | LDNBMXAVCYMJQU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | indoles and derivatives |
|---|
| Subclass | indolecarboxylic acids and derivatives |
|---|
| Direct Parent | indolecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaryl iodidesazacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethershalophenolshydrocarbon derivativesindolesindolinesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alkylarylamines |
|---|
| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindoleazacycle2-iodophenolsecondary aminesecondary aliphatic/aromatic aminearyl halide2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidphenolhydrocarbon derivativebenzenoidaryl iodideorganic nitrogen compoundhalobenzenephenoxy compoundamineorganooxygen compound |
|---|
