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Concept information

organooxygen compound > ether > aromatic ether > acrovestone > genistein 7-glucuronide-4'-sulfate
... > organooxygen compound > carbonyl compound > ketone > methyl ketone > acetophenones > acrovestone > genistein 7-glucuronide-4'-sulfate
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > genistein 7-glucuronide-4'-sulfate

Preferred term

genistein 7-glucuronide-4'-sulfate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H16O14S.Na.Na

inchi

  • InChI=1S/C21H18O14S.2Na/c22-12-5-10(33-21-18(26)16(24)17(25)19(34-21)20(27)28)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)35-36(29,30)31;;/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31);;/q;2*+1/p-2/t16-,17-,18+,19-,21+;;/m0../s1

inchikey

  • JZFIWABEFJYNRS-DSGPYVBMSA-L

mass

  • 570.380

monoisotopicmass

  • 570.00561

smiles

  • S(OC1=CC=C(C=2C(=O)C=3C(OC2)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)=CC3[O-])C=C1)(O)(=O)=O.[Na+].[Na+]

subset

  • 2_STAR

synonym EXACT

  • disodium.(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-oxido-4-oxo-3-(4-sulooxyphenyl)chromen-7-yl]oxyoxane-2-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189735

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