| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:02 UTC |
|---|
| Update Date | 2025-03-25 01:01:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02249462 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H17NO8S |
|---|
| Molecular Mass | 383.0675 |
|---|
| SMILES | COc1cc(CC(=O)Nc2ccc(OS(=O)(=O)O)cc2OC)ccc1O |
|---|
| InChI Key | LGHGUXZQUAFZGQ-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 benzenoidsalkyl aryl ethersanilidesanisolescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylacetamidessecondary carboxylic acid amidessulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenoln-arylamidealkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
