| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:23 UTC |
|---|
| Update Date | 2025-03-21 18:02:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037074 |
|---|
| Frequency | 95.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6S |
|---|
| Molecular Mass | 259.0151 |
|---|
| SMILES | CC(=O)Nc1ccc(C(=O)OS(=O)(=O)O)cc1 |
|---|
| InChI Key | VAEYYTJOWDSHIX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | acylaminobenzoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidesacetanilidesbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminebenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacylaminobenzoic acid or derivativesorganic sulfuric acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
|---|
