| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:00 UTC |
|---|
| Update Date | 2025-03-21 18:33:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095594 |
|---|
| Frequency | 29.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O7S |
|---|
| Molecular Mass | 274.0147 |
|---|
| SMILES | Cc1cc(C=CC(=O)O)cc(OS(=O)(=O)O)c1O |
|---|
| InChI Key | BEMASHSLNFOMTH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | hydroxycinnamic acids and derivatives |
|---|
| Direct Parent | hydroxycinnamic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenolsphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acidcarboxylic acid derivativephenylsulfateorganic oxideo-cresolarylsulfateorganic sulfuric acid or derivativeshydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
|---|
