| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:18 UTC |
|---|
| Update Date | 2025-03-21 18:38:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120682 |
|---|
| Frequency | 21.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO7S |
|---|
| Molecular Mass | 275.01 |
|---|
| SMILES | CC(=O)Nc1ccc(OC(=O)OS(=O)(=O)O)cc1 |
|---|
| InChI Key | YALMTXYWJJFNBH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | anilides |
|---|
| Direct Parent | acetanilides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidecarbonic acid derivativeorganic sulfuric acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
