mycophenolic acid phenolic glucuronide
Chemical Formula:
C23H26O12
Molecular Weight:
494.451 Daltons
Monoisotopic Mass:
496.15807636399995 Daltons
SMILES:
CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)
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:
Databases
MetaCyc:
CPD-14604
PubChem (CID):
90657160
MetaNetX:
MNXM19490