furanocandin

Properties Image Occurences in reactions MNX_ID MNXM105255 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C45H64O18 charge 0 mass 892.40927 reference chebi:65933 InChIKey YMDCFNDLUOCAGK-WTKRVALCSA-N InChI InChI=1S/C45H64O18/c1-3-5-6-7-8-9-14-19-30(49)20-15-12-17-22-36(54)60-43-39(57)45(61-40-28(25-46)23-31(50)24-32(40)51)59-34(26-47)42(43)63-44-38(56)37(55)41(62-44)33(52)27-58-35(53)21-16-11-10-13-18-29(48)4-2/h8-12,14-17,19,21-24,29-30,33-34,37-39,41-52,55-57H,3-7,13,18,20,25-27H2,1-2H3/b9-8+,11-10-,15-12+,19-14+,21-16+,22-17+/t29?,30?,33-,34-,37-,38-,39-,41+,42-,43-,44+,45+/m1/s1 SMILES CCCCC/C=C/C=C/C(O)C/C=C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H](Oc2c(O)cc(O)cc2CO)O[C@H](CO)[C@H]1O[C@@H]1O[C@@H]([C@H](O)COC(=O)/C=C/C=C\CCC(O)CC)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph