Platycodon saponin 1

Properties Image Occurences in reactions MNX_ID MNXM108085 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C36H58O13 charge 0 mass 698.38774 reference chebi:66761 InChIKey GOFIZNVEASPUFU-NFBWNAECSA-N InChI InChI=1S/C36H58O13/c1-30(2)8-9-35-21(12-30)36(49-29(35)46)22(41)10-20-31(3)11-17(40)27(48-28-26(45)25(44)24(43)18(14-37)47-28)34(15-38,16-39)19(31)6-7-32(20,4)33(36,5)13-23(35)42/h17-28,37-45H,6-16H2,1-5H3/t17-,18+,19+,20+,21+,22-,23+,24+,25-,26+,27-,28-,31-,32+,33-,35+,36+/m0/s1 SMILES CC1(C)CC[C@]23C(=O)O[C@@]4([C@@H](O)C[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(CO)(CO)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]2O)[C@@H]3C1

Parent-child relations graph

Deprecated MNXref IDs graph