Neocasomorphin (1-5)

Properties Image Occurences in reactions MNX_ID MNXM158696 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 3 formula C29H40N5O9 charge -1 mass 602.28315 reference biggM:CE4723 InChIKey WRNQQFNBEUKAAX-MOGNJTFLSA-M InChI InChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/p-1/t19-,20-,21-,22-,24+/m1/s1 SMILES CC(C)[C@H]([NH+]=C([O-])[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1)C([O-])=[NH+][C@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph