solasodine 3-O-beta-D-glucoside

Properties Image Occurences in reactions MNX_ID MNXM21800 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C33H54NO7 charge 1 mass 576.38948 reference metacycM:CPD-13081 InChIKey XMLLJGHZPHTUKK-CKSYUEDFSA-O InChI InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/p+1/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32-,33-/m1/s1 SMILES C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]32C)O[C@]12CC[C@@H](C)C[NH2+]2

Parent-child relations graph

Deprecated MNXref IDs graph