| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:08 UTC |
|---|
| Update Date | 2025-03-25 01:01:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252002 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5IO3S |
|---|
| Molecular Mass | 283.9004 |
|---|
| SMILES | O=S(=O)(O)c1cccc(I)c1 |
|---|
| InChI Key | BNQPGPMRORGVHG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl iodidesarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesiodobenzenesorganic oxidesorganoiodidesorganosulfonic acidssulfonyls |
|---|
| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativearyl iodidehalobenzenebenzenesulfonyl group |
|---|
