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Concept information

organooxygen compound > ether > aromatic ether > acrovestone > equol 7-o-glucuronide

Preferred term

equol 7-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O9

inchi

  • InChI=1S/C21H22O9/c22-13-4-1-10(2-5-13)12-7-11-3-6-14(8-15(11)28-9-12)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

  • XDPLKWRSVXUQBN-LVEHSUOCSA-N

mass

  • 418.398

monoisotopicmass

  • 418.12638

smiles

  • O1[C@@H](OC2=CC=3OC[C@@H](CC3C=C2)C4=CC=C(O)C=C4)[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-[[(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188397

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