shizukaol B

Properties Image Occurences in reactions MNX_ID MNXM108809 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H44O13 charge 0 mass 732.27819 reference chebi:69783 InChIKey NCEFZVURTXZBJM-CLPLISGISA-N InChI InChI=1S/C40H44O13/c1-16-8-9-50-27(41)6-7-28(42)51-14-20-22-13-25-37(3,23-12-24(23)39(25,48)15-52-34(16)45)26-11-19-18-10-21(18)38(4)30(19)31(40(22,26)53-36(20)47)29(32(43)33(38)44)17(2)35(46)49-5/h8,18,21,23-26,31,33,44,48H,6-7,9-15H2,1-5H3/b16-8+,29-17-/t18-,21-,23-,24+,25-,26+,31+,33+,37+,38+,39+,40+/m1/s1 SMILES COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12

Parent-child relations graph

Deprecated MNXref IDs graph