curcumin 4'-O-beta-D-gentiobiosyl 4''-O-beta-D-glucoside

Properties Image Occurences in reactions MNX_ID MNXM8469 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C39H50O21 charge 0 mass 854.28446 reference metacycM:CPD-6625 InChIKey ONUWIQDGPDCVOI-OFBQGYNZSA-N InChI InChI=1S/C39H50O21/c1-53-23-11-17(5-9-21(23)56-38-35(51)32(48)29(45)26(15-41)59-38)3-7-19(42)13-20(43)8-4-18-6-10-22(24(12-18)54-2)57-39-36(52)33(49)30(46)27(60-39)16-55-37-34(50)31(47)28(44)25(14-40)58-37/h3-13,25-42,44-52H,14-16H2,1-2H3/b7-3+,8-4+,19-13-/t25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-/m1/s1 SMILES COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph