Petunidin 3-O-[6-O-(4-O-(E)-caffeoyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside

Properties Image Occurences in reactions MNX_ID MNXM25506 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C43H49O24 charge 1 mass 949.26083 reference lipidmapsM:LMPK12010365 InChIKey JUOSIPJKJLUJCA-MBGVAZAWSA-O InChI InChI=1S/C43H48O24/c1-15-39(67-29(49)6-4-16-3-5-20(46)21(47)7-16)35(55)38(58)41(61-15)60-14-28-32(52)34(54)37(57)43(66-28)64-26-12-19-23(62-40(26)17-8-22(48)30(50)25(9-17)59-2)10-18(45)11-24(19)63-42-36(56)33(53)31(51)27(13-44)65-42/h3-12,15,27-28,31-39,41-44,51-58H,13-14H2,1-2H3,(H4-,45,46,47,48,49,50)/p+1/t15?,27?,28?,31-,32-,33+,34+,35?,36?,37?,38+,39+,41-,42-,43-/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(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@H](O)C2O)cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph