Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside)

Properties Image Occurences in reactions MNX_ID MNXM26123 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C55H61O30 charge 1 mass 1201.32422 reference lipidmapsM:LMPK12010347 InChIKey SRALQJSERXBZGK-TUQXFZCLSA-O InChI InChI=1S/C55H60O30/c1-73-29-9-21(10-30(74-2)41(29)62)5-7-38(59)77-19-36-44(65)47(68)49(70)53(84-36)79-24-15-26(57)25-17-34(82-55-50(71)46(67)43(64)35(18-56)83-55)52(80-28(25)16-24)23-13-27(58)40(61)33(14-23)81-54-51(72)48(69)45(66)37(85-54)20-78-39(60)8-6-22-11-31(75-3)42(63)32(12-22)76-4/h5-17,35-37,43-51,53-56,64-72H,18-20H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t35?,36?,37?,43-,44-,45-,46+,47+,48+,49?,50?,51?,53-,54-,55-/m1/s1 SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc(O)c4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(-c5cc(O)c(O)c(O[C@@H]6OC(COC(=O)/C=C/c7cc(OC)c(O)c(OC)c7)[C@@H](O)[C@H](O)C6O)c5)[o+]c4c3)C(O)[C@@H](O)[C@@H]2O)cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph