monodeglucosyl des-acyl avenacin A

Properties Image Occurences in reactions MNX_ID MNXM148358 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C41H66O15 charge 0 mass 798.44017 reference metacycM:CPD-16625 InChIKey ZDHABOVHCKZVCM-QANQYWCOSA-N InChI InChI=1S/C41H66O15/c1-35(17-43)12-23-37(3,13-24(35)46)25(47)14-40(6)39(5)10-7-21-36(2,22(39)11-27-41(23,40)56-27)9-8-26(38(21,4)18-44)54-34-32(28(48)19(45)16-52-34)55-33-31(51)30(50)29(49)20(15-42)53-33/h17,19-34,42,44-51H,7-16,18H2,1-6H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+/m0/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](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