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Concept information

Preferred term

mycophenolic acid glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H28O12

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)/b9-4-

inchikey

  • BYFGTSAYQQIUCN-WTKPLQERSA-N

mass

  • 496.465

monoisotopicmass

  • 496.15808

smiles

  • COC1=C(C)C2=C(C(=O)OC2)C(OC3OC(C(O)C(O)C3O)C(O)=O)=C1C/C=C(/C)/CCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 6-({5-[(2Z)-5-carboxy-3-methylpent-2-en-1-yl]-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232439

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