| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:37:43 UTC |
|---|
| Update Date | 2025-03-21 17:57:46 UTC |
|---|
| HMDB ID | HMDB0240662 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010154 |
|---|
| Name | 3-Methylcatechol 1-sulfate |
|---|
| Frequency | 468.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8O5S |
|---|
| Molecular Mass | 204.0092 |
|---|
| SMILES | Cc1cccc(OS(=O)(=O)O)c1O |
|---|
| InChI Key | HFDKYCXWNHNKAF-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-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho cresolsphenoxy compoundssulfuric acid monoesterstoluenes |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundo-cresolsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
|---|
