| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:50 UTC |
|---|
| Update Date | 2025-03-21 17:56:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00003435 |
|---|
| Frequency | 1700.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H10O4S |
|---|
| Molecular Mass | 202.03 |
|---|
| SMILES | Cc1cccc(C)c1OS(=O)(=O)O |
|---|
| InChI Key | RKABBNROTDUANU-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 | hydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoestersm-xylenes |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoesterm-xylenearomatic homomonocyclic compoundxylenephenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
