| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:41 UTC |
|---|
| Update Date | 2025-03-21 17:59:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019071 |
|---|
| Frequency | 215.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8O8S |
|---|
| Molecular Mass | 275.994 |
|---|
| SMILES | O=C(O)C(=O)Cc1ccc(OS(=O)(=O)O)c(O)c1 |
|---|
| InChI Key | HROKOLKNGNTEPM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acidsphenylsulfatessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonephenylsulfateorganic oxidealpha-keto acidarylsulfateorganic sulfuric acid or derivativesphenylpyruvate1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
