| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:56 UTC |
|---|
| Update Date | 2025-03-21 18:03:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043186 |
|---|
| Frequency | 78.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H19NO10S |
|---|
| Molecular Mass | 393.073 |
|---|
| SMILES | CC(=O)Nc1ccc(OC2OC(COS(=O)(=O)O)C(O)C(O)C2O)cc1 |
|---|
| InChI Key | XAPTUIFBRITEGN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | anilides |
|---|
| Direct Parent | acetanilides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsacetamidesalkyl sulfatescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | phenol ethersulfuric acid monoestercarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundmonosacchariden-arylamidecarboxylic acid derivativesaccharideorganic oxideacetalalkyl sulfateorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholorganic sulfuric acid or derivativesacetanilidecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
