41-O-demethylrapamycin

Properties Image Occurences in reactions MNX_ID MNXM151248 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C50H77NO13 charge 0 mass 899.53949 reference hmdb:HMDB0061048 InChIKey RGRYVHKBWYXMGM-XMALXIMISA-N InChI InChI=1S/C50H77NO13/c1-29-15-11-10-12-16-30(2)42(61-8)27-37-20-18-35(7)50(60,64-37)47(57)48(58)51-22-14-13-17-38(51)49(59)63-43(32(4)25-36-19-21-39(52)41(54)26-36)28-40(53)31(3)24-34(6)45(56)46(62-9)44(55)33(5)23-29/h10-12,15-16,24,29,31-33,35-39,41-43,45-46,52,54,56,60H,13-14,17-23,25-28H2,1-9H3/b12-10-,15-11-,30-16-,34-24-/t29-,31+,32-,33-,35-,36-,37+,38+,39+,41+,42+,43+,45-,46-,50?/m1/s1 SMILES CO[C@H]1C[C@@H]2CC[C@@H](C)C(O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@H]2CC[C@H](O)[C@@H](O)C2)CC(=O)[C@@H](C)/C=C(/C)[C@@H](O)[C@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C\1C

Parent-child relations graph

Deprecated MNXref IDs graph