| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:10 UTC |
|---|
| Update Date | 2025-03-25 00:51:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188026 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H11NO8S |
|---|
| Molecular Mass | 305.0205 |
|---|
| SMILES | CC(=O)Nc1cc(CC(=O)O)c(OS(=O)(=O)O)cc1O |
|---|
| InChI Key | SLMLXSDWAFOMGJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesacetanilidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidn-acetylarylamine1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
