| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:20:08 UTC |
|---|
| Update Date | 2025-03-25 01:01:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02247463 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7IO2 |
|---|
| Molecular Mass | 261.9491 |
|---|
| SMILES | Cc1cc(C=O)cc(I)c1O |
|---|
| InChI Key | IWXOYCGWXFJMBI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | hydroxybenzaldehydes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl iodidesbenzoyl derivativeshalophenolshydrocarbon derivativesiodobenzeneso-iodophenolsorganic oxidesorganoiodidesorganooxygen compoundsortho cresolstoluenes |
|---|
| Substituents | monocyclic benzene moietybenzoyl2-iodophenolorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compound2-halophenolorganic oxideo-cresolphenolhydrocarbon derivativebenzenoidaryl iodidehalobenzenehydroxybenzaldehydetoluene |
|---|
