Pelargonidin 3-[6-(3-glucosylcaffeyl)glucoside]-5-glucoside

Properties Image Occurences in reactions MNX_ID MNXM27716 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C42H47O23 charge 1 mass 919.25026 reference lipidmapsM:LMPK12010043 InChIKey HTLUCIJWECOOTO-FHILFNMASA-O InChI InChI=1S/C42H46O23/c43-13-26-30(49)33(52)36(55)40(63-26)60-23-11-19(46)10-22-20(23)12-25(39(59-22)17-3-5-18(45)6-4-17)62-42-38(57)35(54)32(51)28(65-42)15-58-29(48)8-2-16-1-7-21(47)24(9-16)61-41-37(56)34(53)31(50)27(14-44)64-41/h1-12,26-28,30-38,40-44,49-57H,13-15H2,(H2-,45,46,47,48)/p+1/t26?,27?,28?,30-,31-,32-,33+,34+,35?,36?,37?,38?,40-,41-,42-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@@H]1O

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