Peonidin 3-(6'-malonylglucoside)-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM22729 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C31H35O19 charge 1 mass 711.17671 reference lipidmapsM:LMPK12010249 InChIKey AEMHVTCADJQUIP-AQEAGXJDSA-O InChI InChI=1S/C31H34O19/c1-44-17-4-11(2-3-14(17)34)29-18(48-31-28(43)26(41)24(39)20(50-31)10-45-22(37)8-21(35)36)7-13-15(46-29)5-12(33)6-16(13)47-30-27(42)25(40)23(38)19(9-32)49-30/h2-7,19-20,23-28,30-32,38-43H,8-10H2,1H3,(H2-,33,34,35,36)/p+1/t19?,20?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2OC(COC(=O)CC(=O)O)[C@@H](O)C(O)C2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph