medicagenate-28-O-beta-D-glucoside

Properties Image Occurences in reactions MNX_ID MNXM61275 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C36H54O11 charge -2 mass 662.36771 reference metacycM:CPD-9487 InChIKey XCHARIIIZLLEBL-HXZZEOLJSA-L InChI InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/p-2/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1 SMILES CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1

Parent-child relations graph

Deprecated MNXref IDs graph