Precorrin 8X

Properties Image Occurences in reactions MNX_ID MNXM729939 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C45H60N4O14 charge 0 mass 880.4106 reference keggC:C06408 InChIKey IGCZFSMEIXUSJY-RATFVIFXSA-N InChI InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b39-22-/t21-,25+,26+,27-,40?,41+,42-,43-,44-,45-/m0/s1 SMILES CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)(C4N=C([C@H]2C)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph