| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:33:41 UTC |
|---|
| Update Date | 2025-03-21 17:56:13 UTC |
|---|
| HMDB ID | HMDB0011719 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000717 |
|---|
| Name | Homovanillic acid sulfate |
|---|
| Frequency | 7758.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10O7S |
|---|
| Molecular Mass | 262.0147 |
|---|
| SMILES | COc1cc(CC(=O)O)ccc1OS(=O)(=O)O |
|---|
| InChI Key | IACOAKYXFIWAQN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | phenylsulfates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
