| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:10 UTC |
|---|
| Update Date | 2025-03-25 00:50:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181189 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H12O11S |
|---|
| Molecular Mass | 376.01 |
|---|
| SMILES | O=C(O)CC(OC(=O)C=Cc1ccc(OS(=O)(=O)O)c(O)c1)C(=O)O |
|---|
| InChI Key | KUNPULRVQMOHFF-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesterstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativephenylsulfatealpha,beta-unsaturated carboxylic esterorganic oxidearylsulfateenoate esterorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
