3beta,22alpha-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

Properties Image Occurences in reactions MNX_ID MNXM101899 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C36H58O9 charge 0 mass 634.40808 reference chebi:67944 InChIKey OZXWCKDLDCHGLN-ZNUSNMFFSA-N InChI InChI=1S/C36H58O9/c1-18-16-25(39)36(31(43)45-30-29(42)28(41)27(40)21(17-37)44-30)15-14-34(6)20(26(36)19(18)2)8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-35(23,34)7/h8,18-19,21-30,37-42H,9-17H2,1-7H3/t18-,19+,21-,22+,23-,24+,25+,26+,27-,28+,29-,30+,33+,34-,35-,36-/m1/s1 SMILES C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C[C@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph