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Concept information

Preferred term

Dehydroepiandone 3-O- (بتا-دی- گلوکورونید) (1-)  

Type

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

charge

  • -1

formula

  • C25H35O8

inchi

  • InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)/p-1/t13-,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

inchikey

  • GLONBVCUAVPJFV-PCDHEYSGSA-M

mass

  • 463.548

monoisotopicmass

  • 463.23374

smiles

  • O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-])CC4)C)(CC2)[H])[H])(CC1)[H])C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178105

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