| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:17 UTC |
|---|
| Update Date | 2025-03-25 00:50:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179147 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H24O14S |
|---|
| Molecular Mass | 544.0887 |
|---|
| SMILES | COc1ccc(C2CC(=O)c3cc(O)cc(OC4OC(COS(=O)(=O)O)C(O)C(O)C4O)c3O2)cc1O |
|---|
| InChI Key | HWGXXMFNSILKTA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | flavonoid glycosides |
|---|
| Direct Parent | flavonoid-8-o-glycosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-o-methylated flavonoids6-hydroxyflavonoidsacetalsalkyl aryl ethersalkyl sulfatesanisolesaryl alkyl ketoneschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
|---|
| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl etherketonesaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundalkyl sulfatechromaneoxaneorganoheterocyclic compoundalcoholbenzopyranorganic sulfuric acid or derivatives6-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidflavonoid-8-o-glycosideoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
|---|
