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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

mycophenolate 7-o-beta-d-glucuronide(2-)  

Type

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

charge

  • -2

formula

  • C23H26O12

inchi

  • InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/p-2/b9-4+/t15-,16-,17+,20-,23+/m0/s1

inchikey

  • BYFGTSAYQQIUCN-HGIHDBQLSA-L

mass

  • 494.450

monoisotopicmass

  • 494.14352

smiles

  • C12=C(C(C)=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)C/C=C(/CCC(=O)[O-])/C)OC)COC2=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149486

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