cyanidin O-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]

Properties Image Occurences in reactions MNX_ID MNXM167488 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C41H43O22 charge -1 mass 887.22515 reference metacycM:CPD-15000 InChIKey AVYXHYMPVRRQIG-XKWKOXAYSA-M InChI InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p-1/t24-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+/m1/s1 SMILES O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3cc4c([O-])cc([O-])cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph