calysolin I

Properties Image Occurences in reactions MNX_ID MNXM103462 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C50H86O23 charge 0 mass 1054.55599 reference chebi:68896 InChIKey PEXGEFOIWGLTKE-CEAJFWEWSA-N InChI InChI=1S/C50H86O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-43-39(69-45(61)24(3)9-2)35(57)30(22-51)66-49(43)71-40-36(58)31(23-52)67-50(72-42-38(60)34(56)27(6)63-47(42)65-29)44(40)73-48-41(37(59)33(55)28(7)64-48)70-46(62)25(4)26(5)53/h24-31,33-44,47-53,55-60H,8-23H2,1-7H3/t24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 SMILES CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4OC(=O)[C@@H](C)[C@H](C)O)[C@@H](O[C@H](CO)[C@H]3O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)[C@@H](C)CC

Parent-child relations graph

Deprecated MNXref IDs graph