Cyanidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM27655 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C40H41O22 charge 1 mass 873.2084 reference lipidmapsM:LMPK12010164 InChIKey MWFHUILXIXNBKO-ZZDWMONASA-O InChI InChI=1S/C40H40O22/c1-55-25-8-16(2-5-21(25)43)3-7-30(47)56-14-27-32(49)35(52)37(54)40(62-27)60-26-12-19-23(58-38(26)17-4-6-20(42)22(44)9-17)10-18(41)11-24(19)59-39-36(53)34(51)33(50)28(61-39)15-57-31(48)13-29(45)46/h2-12,27-28,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,47)/p+1/t27?,28?,32-,33-,34+,35?,36?,37?,39-,40-/m1/s1 SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(COC(=O)CC(=O)O)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)C(O)C(O)[C@@H]2O)ccc1O

Parent-child relations graph

Deprecated MNXref IDs graph