isorhamnetin 3-O-(3"-O-p-coumaroyl, 6"-O-feruloyl)-glucoside

Properties Image Occurences in reactions MNX_ID MNXM114686 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C41H36O17 charge 0 mass 800.19525 reference metacycM:CPD-14985 InChIKey MECAFZQCMAEWNI-NZTQYLCGSA-N InChI InChI=1S/C41H36O17/c1-52-28-15-21(5-11-25(28)44)7-13-32(47)54-19-31-35(49)39(57-33(48)14-6-20-3-9-23(42)10-4-20)37(51)41(56-31)58-40-36(50)34-27(46)17-24(43)18-30(34)55-38(40)22-8-12-26(45)29(16-22)53-2/h3-18,31,35,37,39,41-46,49,51H,19H2,1-2H3/b13-7+,14-6+/t31-,35-,37-,39+,41+/m1/s1 SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(OC)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph