| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:21 UTC |
|---|
| Update Date | 2025-03-21 18:05:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00055857 |
|---|
| Frequency | 57.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H11O8S+ |
|---|
| Molecular Mass | 351.0169 |
|---|
| SMILES | O=S(=O)(O)Oc1cc2c(O)cc(O)cc2[o+]c1-c1ccc(O)cc1 |
|---|
| InChI Key | DHXOPLBATBYVDI-UHFFFAOYSA-O |
|---|
| 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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsanthocyanidinsarylsulfatesbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoesters |
|---|
| Substituents | monocyclic benzene moietysulfuric acid monoester1-benzopyran1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundanthocyanidinarylsulfateorganic cationorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoidheteroaromatic compound5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compound7-hydroxyflavonoid4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
|---|
