mithramycin SDK

Properties Image Occurences in reactions MNX_ID MNXM106723 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C51H72O23 charge 0 mass 1052.44644 reference metacycM:CPD-14371 InChIKey VBBQWKLBPKLXGJ-IIHQHQNCSA-N InChI InChI=1S/C51H72O23/c1-18-29(70-34-14-30(43(57)21(4)66-34)71-33-13-28(53)42(56)20(3)65-33)12-26-10-25-11-27(48(64-9)41(55)19(2)52)49(47(61)39(25)46(60)38(26)40(18)54)74-36-16-31(44(58)23(6)68-36)72-35-15-32(45(59)22(5)67-35)73-37-17-51(8,63)50(62)24(7)69-37/h10,12,20-24,27-28,30-37,42-45,48-50,53-54,56-60,62-63H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44-,45+,48+,49+,50-,51+/m1/s1 SMILES CO[C@H](C(=O)C(C)=O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1

Parent-child relations graph

Deprecated MNXref IDs graph