des-acyl avenacin A

Properties Image Occurences in reactions MNX_ID MNXM146544 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0 formula C47H76O20 charge 0 mass 960.49299 reference metacycM:CPD-16623 InChIKey WDHZXDLRQGPOGR-WGJSNZCWSA-N InChI InChI=1S/C47H76O20/c1-41(18-50)12-25-43(3,13-26(41)52)27(53)14-46(6)45(5)10-7-23-42(2,24(45)11-29-47(25,46)67-29)9-8-28(44(23,4)19-51)65-40-37(66-39-36(60)34(58)31(55)21(16-49)63-39)32(56)22(17-61-40)64-38-35(59)33(57)30(54)20(15-48)62-38/h18,20-40,48-49,51-60H,7-17,19H2,1-6H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46+,47-/m1/s1 SMILES C[C@]12C[C@H](O)[C@](C)(C=O)C[C@H]1[C@@]13O[C@@H]1C[C@@H]1[C@@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@@H]4CC[C@@]1(C)[C@]3(C)C[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph