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Concept information

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

Preferred term

genistein 4'-glucuronide-7-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18O14S

inchi

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

inchikey

  • SQCSMLZKGFBVFL-ZFORQUDYSA-N

mass

  • 526.420

monoisotopicmass

  • 526.04173

smiles

  • S(OC=1C=C2OC=C(C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)C(=O)C2=C(O)C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-4-oxo-7-sulooxychromen-3-yl)phenoxy]oxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189734

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