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CHEBI:55454 - genistein 4',7-disulfate

ChEBI IDCHEBI:55454
ChEBI Namegenistein 4',7-disulfate
Stars
DefinitionA bisulfonated derivative of genistein.
Last Modified1 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC15H10O11S2
Net Charge0
Average Mass430.368
Monoisotopic Mass429.96645
SMILESO=c1c(-c2ccc(OS(=O)(=O)O)cc2)coc2cc(OS(=O)(=O)O)cc(O)c12
InChIInChI=1S/C15H10O11S2/c16-12-5-10(26-28(21,22)23)6-13-14(12)15(17)11(7-24-13)8-1-3-9(4-2-8)25-27(18,19)20/h1-7,16H,(H,18,19,20)(H,21,22,23)
InChIKeyOIWNCXQGSYSVIR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
genistein 4',7-disulfate (CHEBI:55454) has functional parent genistein (CHEBI:28088)
genistein 4',7-disulfate (CHEBI:55454) is a heterocyclyl sulfate (CHEBI:37839)
genistein 4',7-disulfate (CHEBI:55454) is conjugate acid of genistein 4',7-disulfate(2−) (CHEBI:55453)
Incoming Relation(s)
genistein 4',7-disulfate(2−) (CHEBI:55453) is conjugate base of genistein 4',7-disulfate (CHEBI:55454)
IUPAC Name 
4-[5-hydroxy-4-oxo-7-(sulfooxy)-4H-chromen-3-yl]phenyl hydrogen sulfate