| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:53 UTC |
|---|
| Update Date | 2025-03-21 18:34:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00102705 |
|---|
| Frequency | 26.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO5S |
|---|
| Molecular Mass | 273.0671 |
|---|
| SMILES | NS(=O)(=O)OC(=O)CCC(O)Cc1ccccc1 |
|---|
| InChI Key | IOJIAKZTAQQTAK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganic sulfuric acids and derivativessecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietycarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
