beta2-tomatine

Properties Image Occurences in reactions MNX_ID MNXM491993 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C44H73NO16 charge 0 mass 871.49294 reference metacycM:CPD-18763 InChIKey OOXSVXSQCBGCTK-XZGGSPBXSA-N InChI InChI=1S/C44H73NO16/c1-19-7-12-44(45-15-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(53)33(51)37(29(17-47)58-40)59-41-36(54)38(32(50)28(16-46)57-41)60-39-34(52)31(49)26(48)18-55-39/h19-41,45-54H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-/m0/s1 SMILES C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

Parent-child relations graph

Deprecated MNXref IDs graph