| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:40 UTC |
|---|
| Update Date | 2025-03-25 00:56:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219071 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H12O10S |
|---|
| Molecular Mass | 396.0151 |
|---|
| SMILES | COS(=O)(=O)Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O |
|---|
| InChI Key | GKKIROYDMRTPDO-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-hydroxyflavonoidsalkyl sulfatesarylsulfatesbenzene and substituted derivativeschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundspyranones and derivativessulfuric acid diestersvinylogous acids |
|---|
| Substituents | monocyclic benzene moiety1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidesulfuric acid diesterchromonearomatic heteropolycyclic compoundalkyl sulfatepyranonearylsulfateorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidoxacyclevinylogous acidorganic oxygen compoundpyran7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
