cyanidin 3-O-[2"-O-(2"'-O-(sinapoyl) xylosyl) 6"-O-(p-coumaroyl) glucoside] 5-O-[6""-O-(malonyl) glucoside

Properties Image Occurences in reactions MNX_ID MNXM24738 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C55H55O29 charge -1 mass 1179.28345 reference metacycM:CPD-16539 InChIKey MAKMINQMKSULBY-GWCBQTKKSA-M InChI InChI=1S/C55H56O29/c1-73-34-13-24(14-35(74-2)44(34)67)6-12-41(64)83-51-43(66)31(60)20-77-54(51)84-52-48(71)46(69)38(21-75-40(63)11-5-23-3-8-26(56)9-4-23)82-55(52)80-36-18-28-32(78-50(36)25-7-10-29(58)30(59)15-25)16-27(57)17-33(28)79-53-49(72)47(70)45(68)37(81-53)22-76-42(65)19-39(61)62/h3-18,31,37-38,43,45-49,51-55,60,66,68-72H,19-22H2,1-2H3,(H5-,56,57,58,59,61,62,63,64,67)/p-1/t31-,37-,38-,43+,45-,46-,47+,48+,49-,51-,52-,53-,54+,55-/m1/s1 SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3[C@H](Oc4cc5c(O[C@@H]6O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)cc([O-])cc5[o+]c4-c4ccc(O)c(O)c4)O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph