| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:32 UTC |
|---|
| Update Date | 2025-03-21 18:34:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101849 |
|---|
| Frequency | 26.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H12O9S |
|---|
| Molecular Mass | 320.0202 |
|---|
| SMILES | COc1cc(C=CC(=O)O)cc(OCOS(=O)(=O)O)c1O |
|---|
| InChI Key | DSZUDFBPDHZWEU-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 | alkyl aryl ethersalkyl sulfatesanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidealkyl sulfateorganic sulfuric acid or derivativesmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
