| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:26 UTC |
|---|
| Update Date | 2025-03-21 18:03:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046811 |
|---|
| Frequency | 71.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O11S |
|---|
| Molecular Mass | 366.0257 |
|---|
| SMILES | O=C(O)C1OC(c2ccc(O)c(O)c2)C(OS(=O)(=O)O)C(O)C1O |
|---|
| InChI Key | AKZQIBOSQXQUBM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | c-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidealkyl sulfateoxaneorganoheterocyclic compound1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid ester |
|---|
