| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:23 UTC |
|---|
| Update Date | 2025-03-21 18:28:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00075051 |
|---|
| Frequency | 39.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O10S |
|---|
| Molecular Mass | 350.0308 |
|---|
| SMILES | O=C(O)C1OC(Oc2ccccc2)C(O)C(O)C1OS(=O)(=O)O |
|---|
| InChI Key | GCDWTTTVKMKHOF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacetalsalkyl sulfatescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronideorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativesoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester |
|---|
