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

Properties Image Occurences in reactions MNX_ID MNXM29203 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C38H41O19 charge 1 mass 801.22366 reference lipidmapsM:LMPK12010408 InChIKey OTVHGFISQWNLDE-BZVFCKNWSA-O InChI InChI=1S/C38H40O19/c1-15-35(57-28(43)7-5-16-4-6-20(40)22(42)8-16)32(47)34(49)37(53-15)52-14-27-30(45)31(46)33(48)38(56-27)55-26-13-19-21(41)11-18(39)12-23(19)54-36(26)17-9-24(50-2)29(44)25(10-17)51-3/h4-13,15,27,30-35,37-38,45-49H,14H2,1-3H3,(H4-,39,40,41,42,43,44)/p+1/t15?,27-,30-,31?,32?,33?,34+,35+,37-,38-/m1/s1 SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3OC(C)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)C(O)[C@@H]3O)[C@@H](O)C(O)C2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph