Malvidin 3-O-(6-O-(4-O-alpha-rhamnopyranosyl-beta-glucopyranoside)-5-O-(6-O-malonyl-beta-glucopyranoside)

Properties Image Occurences in reactions MNX_ID MNXM26800 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C38H47O24 charge 1 mass 887.24518 reference lipidmapsM:LMPK12010399 InChIKey NQHOVUXXRSORBV-PADSCKHNSA-O InChI InChI=1S/C38H46O24/c1-12-25(43)29(47)32(50)36(57-12)56-11-22-28(46)31(49)34(52)38(62-22)60-20-8-15-16(58-35(20)13-4-18(53-2)26(44)19(5-13)54-3)6-14(39)7-17(15)59-37-33(51)30(48)27(45)21(61-37)10-55-24(42)9-23(40)41/h4-8,12,21-22,25,27-34,36-38,43,45-52H,9-11H2,1-3H3,(H2-,39,40,41,44)/p+1/t12?,21?,22-,25+,27-,28-,29?,30+,31?,32+,33?,34?,36-,37-,38-/m1/s1 SMILES COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C4O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph