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CHEBI:55452 - genistin 4',6''-disulfate(2−)
| Formula | C21H18O16S2 |
| Net Charge | -2 |
| Average Mass | 590.493 |
| Monoisotopic Mass | 590.00472 |
| SMILES | O=c1c(-c2ccc(OS(=O)(=O)[O-])cc2)coc2cc(O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 |
| InChI | InChI=1S/C21H20O16S2/c22-13-5-11(35-21-20(26)19(25)18(24)15(36-21)8-34-38(27,28)29)6-14-16(13)17(23)12(7-33-14)9-1-3-10(4-2-9)37-39(30,31)32/h1-7,15,18-22,24-26H,8H2,(H,27,28,29)(H,30,31,32)/p-2/t15-,18-,19+,20-,21-/m1/s1 |
| InChIKey | VGZJAQZQOABSPV-CMWLGVBASA-L |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| genistin 4',6''-disulfate(2−) (CHEBI:55452) has functional parent genistein 7-O-β-D-glucoside (CHEBI:27514) |
| genistin 4',6''-disulfate(2−) (CHEBI:55452) is a β-D-glucoside (CHEBI:22798) |
| genistin 4',6''-disulfate(2−) (CHEBI:55452) is conjugate base of genistin 4',6''-disulfate (CHEBI:55457) |
| Incoming Relation(s) |
| genistin 4',6''-disulfate (CHEBI:55457) is conjugate acid of genistin 4',6''-disulfate(2−) (CHEBI:55452) |
| IUPAC Name |
|---|
| 4-{5-hydroxy-4-oxo-7-[(6-O-sulfonato-β-D-glucopyranosyl)oxy]-4H-chromen-3-yl}phenyl sulfate |
| Synonym | Source |
|---|---|
| genistin 4',6''-disulfate | ChEBI |
| Citations |
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