isorhamnetin 3-O-(4"-O-p-coumaroyl)-glucoside

Properties Image Occurences in reactions MNX_ID MNXM114687 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C31H28O14 charge 0 mass 624.14791 reference metacycM:CPD-14993 InChIKey LKWIXESNIMZHTI-ZNTBQNMRSA-N InChI InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)35)28-30(25(38)24-19(36)11-17(34)12-21(24)42-28)45-31-27(40)26(39)29(22(13-32)43-31)44-23(37)9-4-14-2-6-16(33)7-3-14/h2-12,22,26-27,29,31-36,39-40H,13H2,1H3/b9-4+/t22-,26-,27-,29-,31+/m1/s1 SMILES COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph