mycophenolic acid O-acyl-glucuronide

mycophenolic acid <i>O</i>-acyl-glucuronide




Chemical Formula:
C23H27O12
Molecular Weight:
495.459 Daltons
Monoisotopic Mass:
496.15807636399995 Daltons
SMILES:
CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)
InChI:
1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/p-1/b9-4+/t16-,17-,18+,20-,23+/m0/s1
InChIKey:
QBMSTEZXAMABFF-UEARNRKISA-M

Databases
MetaCyc:  CPD-14602
PubChem (CID):  70678773
ChEBI:  66982
Reactome:  5694574
HMDB:  HMDB60491
MetaNetX:  MNXM19489
KEGG:  C20383