Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside]

Properties Image Occurences in reactions MNX_ID MNXM22750 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C49H59O28 charge 1 mass 1095.31874 reference lipidmapsM:LMPK12010369 InChIKey KMAJOOLDJBGTOF-DAUFQCHYSA-O InChI InChI=1S/C49H58O28/c1-17-44(77-31(54)8-5-18-3-6-21(7-4-18)70-47-40(63)36(59)33(56)28(14-50)74-47)39(62)43(66)46(69-17)68-16-30-35(58)38(61)42(65)49(76-30)73-27-13-22-24(71-45(27)19-9-23(53)32(55)26(10-19)67-2)11-20(52)12-25(22)72-48-41(64)37(60)34(57)29(15-51)75-48/h3-13,17,28-30,33-44,46-51,56-66H,14-16H2,1-2H3,(H2-,52,53,55)/p+1/b8-5-/t17?,28?,29?,30?,33-,34-,35-,36+,37+,38+,39?,40?,41?,42?,43+,44+,46-,47-,48-,49-/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@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc4)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)cc(O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph