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CHEBI:55457 - genistin 4',6''-disulfate

ChEBI IDCHEBI:55457
ChEBI Namegenistin 4',6''-disulfate
Stars
DefinitionA bisulfonated derivative of genistin.
Last Modified21 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC21H20O16S2
Net Charge0
Average Mass592.509
Monoisotopic Mass592.01928
SMILESO=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
InChIInChI=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)/t15-,18-,19+,20-,21-/m1/s1
InChIKeyVGZJAQZQOABSPV-CMWLGVBASA-N
ChEBI Ontology
Outgoing Relation(s)
genistin 4',6''-disulfate (CHEBI:55457) is a β-D-glucoside (CHEBI:22798)
genistin 4',6''-disulfate (CHEBI:55457) is conjugate acid of genistin 4',6''-disulfate(2−) (CHEBI:55452)
Incoming Relation(s)
genistin 4',6''-disulfate(2−) (CHEBI:55452) is conjugate base of genistin 4',6''-disulfate (CHEBI:55457)
IUPAC Name 
4-{5-hydroxy-4-oxo-7-[(6-O-sulfo-β--D-glucopyranosyl)oxy]-4H-chromen-3-yl}phenyl hydrogen sulfate
Synonym  Source
genistin 4',6''-disulfateChEBI
Citations