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Concept information

organooxygen compound > ether > aromatic ether > acrovestone > equol 4'-o-glucuronide

Preferred term

equol 4'-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O9

inchi

  • InChI=1S/C21H22O9/c22-13-4-1-11-7-12(9-28-15(11)8-13)10-2-5-14(6-3-10)29-21-18(25)16(23)17(24)19(30-21)20(26)27/h1-6,8,12,16-19,21-25H,7,9H2,(H,26,27)/t12-,16+,17+,18-,19+,21-/m1/s1

inchikey

  • VIKIIYUHWNDRNI-LVEHSUOCSA-N

mass

  • 418.398

monoisotopicmass

  • 418.12638

smiles

  • O1[C@@H](OC2=CC=C([C@@H]3CC4=C(OC3)C=C(O)C=C4)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176354

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