CHEBI:55452 - genistin 4',6''-disulfate(2−)

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ChEBI Name genistin 4',6''-disulfate(2−) ChEBI ID CHEBI:55452 ChEBI ASCII Name genistin 4',6''-disulfate(2-) Definition The conjugate base of genistin 4',6''-disulfate. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H18O16S2 Net Charge -2 Average Mass 590.48800 Monoisotopic Mass 590.00472 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 SMILES O[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(OS([O-])(=O)=O)cc2)c3=O)[C@H](O)[C@H]1O ChEBI Ontology Outgoing 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 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 Citation Type Source 10741415 PubMed citation Europe PMC Last Modified 21 November 2014