| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:19 UTC |
|---|
| Update Date | 2025-03-21 17:56:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002200 |
|---|
| Frequency | 2770.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO5S |
|---|
| Molecular Mass | 233.0358 |
|---|
| SMILES | NCC(O)c1ccc(OS(=O)(=O)O)cc1 |
|---|
| InChI Key | USBXPYPINLFWFY-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 | aromatic alcoholshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
