| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:31 UTC |
|---|
| Update Date | 2025-03-21 18:32:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00092013 |
|---|
| Frequency | 30.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO6S |
|---|
| Molecular Mass | 247.0151 |
|---|
| SMILES | COC(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | QCNXHUHGMZPSQO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylcarbamic acid esters |
|---|
| Direct Parent | phenylcarbamic acid esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganic sulfuric acid or derivativescarbamic acid esteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatephenylcarbamic acid esterorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
