| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:37 UTC |
|---|
| Update Date | 2025-03-21 18:29:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00078054 |
|---|
| Frequency | 37.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O8S |
|---|
| Molecular Mass | 318.0409 |
|---|
| SMILES | COc1cc(CCC(=O)CC(=O)OS(=O)(=O)O)ccc1O |
|---|
| InChI Key | ISPMNKZMFGVFSX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbeta-keto acids and derivativeshydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-keto acidketoneorganic oxideorganic sulfuric acid or derivativesmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
|---|
