| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:49 UTC |
|---|
| Update Date | 2025-03-21 18:01:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033290 |
|---|
| Frequency | 109.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO7S |
|---|
| Molecular Mass | 275.01 |
|---|
| SMILES | Nc1ccc(O)cc1C(=O)CC(=O)OS(=O)(=O)O |
|---|
| InChI Key | COFKNXKGVHVXDN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbeta-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessulfuric acid monoestersvinylogous amides |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketoneamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundsulfuric acid esteraminealkyl-phenylketone |
|---|
