| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:34:34 UTC |
|---|
| Update Date | 2025-03-21 17:56:39 UTC |
|---|
| HMDB ID | HMDB0041748 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002794 |
|---|
| Name | Isoferulic acid 3-sulfate |
|---|
| Frequency | 2122.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H10O7S |
|---|
| Molecular Mass | 274.0147 |
|---|
| SMILES | COc1ccc(C=CC(=O)O)cc1OS(=O)(=O)O |
|---|
| InChI Key | DCMKMHVTKFJMAU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | cinnamic acids and derivatives |
|---|
| Subclass | cinnamic acids and derivatives |
|---|
| Direct Parent | cinnamic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupsulfuric acid monoesterethercarboxylic acidalkyl aryl ethercarboxylic acid derivativephenylsulfatecinnamic acid or derivativesorganic oxidearylsulfateorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
