| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:16:30 UTC |
|---|
| Update Date | 2025-03-21 18:34:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00101730 |
|---|
| Frequency | 26.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H22O15S |
|---|
| Molecular Mass | 558.0679 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3OS(=O)(=O)O)O2)cc1O |
|---|
| InChI Key | LNSKJLAURVOQNQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid-7-o-glucuronides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-o-methylated flavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesarylsulfatesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanonesflavonoid-7-o-glycosidesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidaryl alkyl ketone1-benzopyranflavanoneo-glucuronidemethoxyphenolmonosaccharidepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideacetalchromoneoxaneorganoheterocyclic compoundalcoholbenzopyranmethoxybenzeneanisole4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativephenoxy compoundaryl ketonesulfuric acid monoestercarbonyl groupetherglucuronic acid or derivativesflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundchromanearylsulfateflavonoid-7-o-glycosidepyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranflavonoid-7-o-glucuronidesecondary alcoholsulfate-esterbenzenoidsulfuric acid esterorganooxygen compound |
|---|
