| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:40 UTC |
|---|
| Update Date | 2025-03-21 18:33:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097261 |
|---|
| Frequency | 28.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O9S |
|---|
| Molecular Mass | 294.0046 |
|---|
| SMILES | Cc1c(C(OS(=O)(=O)O)C(=O)O)cc(O)c(O)c1O |
|---|
| InChI Key | YVVAXZAQQLIPGY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesortho cresolspara cresolssulfuric acid monoesterstoluenes |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidep-cresolalkyl sulfateo-cresolorganic sulfuric acid or derivativespyrogallol derivativem-cresol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativesulfuric acid estertolueneorganooxygen compound |
|---|
