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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > genistein 7-o-alpha-4'-anhydro-4',5'-didehydroglucuronide
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > genistein 7-o-alpha-4'-anhydro-4',5'-didehydroglucuronide

Preferred term

genistein 7-o-alpha-4'-anhydro-4',5'-didehydroglucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H16O10

inchi

  • InChI=1S/C21H16O10/c22-10-3-1-9(2-4-10)12-8-29-15-6-11(5-13(23)17(15)18(12)25)30-21-19(26)14(24)7-16(31-21)20(27)28/h1-8,14,19,21-24,26H,(H,27,28)/t14-,19+,21-/m0/s1

inchikey

  • WDPSTRJURLRBJC-ZKYUUJBMSA-N

mass

  • 428.349

monoisotopicmass

  • 428.07435

smiles

  • O=C1C2=C(OC=C1C3=CC=C(O)C=C3)C=C(O[C@H]4OC(C(=O)O)=C[C@@H]([C@H]4O)O)C=C2O

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S)-3,4-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201093

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