Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside)

Properties Image Occurences in reactions MNX_ID MNXM23238 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C51H53O26 charge 1 mass 1081.28196 reference lipidmapsM:LMPK12010072 InChIKey VFGAHYZGQSWYGB-VHIAIDHDSA-O InChI InChI=1S/C51H52O26/c52-18-34-39(61)42(64)45(67)49(74-34)72-32-16-25(54)15-31-26(32)17-33(47(71-31)23-5-7-24(53)8-6-23)73-51-48(44(66)41(63)36(76-51)20-70-38(60)12-4-22-2-10-28(56)30(58)14-22)77-50-46(68)43(65)40(62)35(75-50)19-69-37(59)11-3-21-1-9-27(55)29(57)13-21/h1-17,34-36,39-46,48-52,61-68H,18-20H2,(H5-,53,54,55,56,57,58,59,60)/p+1/t34?,35?,36?,39-,40-,41-,42+,43+,44+,45?,46?,48?,49-,50+,51-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](OC2[C@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)OC(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph