CHEBI:55454 - genistein 4',7-disulfate

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ChEBI Name genistein 4',7-disulfate ChEBI ID CHEBI:55454 Definition A bisulfonated derivative of genistein. 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 C15H10O11S2 Net Charge 0 Average Mass 430.36300 Monoisotopic Mass 429.96645 InChI InChI=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) InChIKey OIWNCXQGSYSVIR-UHFFFAOYSA-N SMILES Oc1cc(OS(O)(=O)=O)cc2occ(-c3ccc(OS(O)(=O)=O)cc3)c(=O)c12 ChEBI Ontology Outgoing 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 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 Last Modified 01 February 2010