| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:41:56 UTC |
|---|
| Update Date | 2025-03-21 17:59:14 UTC |
|---|
| HMDB ID | HMDB0303771 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019647 |
|---|
| Name | Quercetin 3-sulfate |
|---|
| Frequency | 207.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10O10S |
|---|
| Molecular Mass | 381.9995 |
|---|
| SMILES | O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 |
|---|
| InChI Key | DNAYVNOVGHZZLH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | flavonoids |
|---|
| Subclass | sulfated flavonoids |
|---|
| Direct Parent | 3-sulfated flavonoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsarylsulfatesbenzene and substituted derivativeschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid monoestersvinylogous acids |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidechromonearomatic heteropolycyclic compoundpyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
