Pavoninin 1

Properties Image Occurences in reactions MNX_ID MNXM68988 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C37H59NO9 charge 0 mass 661.41898 reference chebi:80851 InChIKey BRNQQEJYQPMDNG-KKNRGALGSA-N InChI InChI=1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-/m1/s1 SMILES CC(=O)N[C@H]1[C@H](O[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCC[C@@H](C)COC(C)=O)CC[C@@H]4[C@@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph