Atorvastatin-acyl-glucuronide / G2

Properties Image Occurences in reactions MNX_ID MNXM744658 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2 formula C39H43FN2O11 charge 0 mass 734.28509 reference biggM:atvacylgluc InChIKey ZUTLXLYYUSGCQH-UHFFFAOYSA-N InChI InChI=1S/C39H43FN2O11/c1-21(2)31-30(37(49)41-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(40)16-14-23)42(31)18-17-26(43)19-27(44)20-28(45)52-39-35(48)33(46)34(47)36(53-39)38(50)51/h3-16,21,26-27,33-36,39,43-44,46-48H,17-20H2,1-2H3,(H,41,49)(H,50,51) SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O

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Deprecated MNXref IDs graph