Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]

Properties Image Occurences in reactions MNX_ID MNXM25231 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C57H63O32 charge 1 mass 1259.3297 reference lipidmapsM:LMPK12010211 InChIKey KRHKFNLZGHDXCP-AZJKPKAASA-O InChI InChI=1S/C57H62O32/c58-17-35-41(68)45(72)49(76)54(85-35)82-32-15-24(60)14-31-25(32)16-34(52(81-31)23-5-8-27(62)30(65)13-23)84-57-53(48(75)44(71)38(88-57)20-80-39(66)9-3-21-1-6-26(61)29(64)11-21)89-56-51(78)47(74)43(70)37(87-56)19-79-40(67)10-4-22-2-7-28(63)33(12-22)83-55-50(77)46(73)42(69)36(18-59)86-55/h1-16,35-38,41-51,53-59,68-78H,17-20H2,(H5-,60,61,62,63,64,65,66,67)/p+1/t35?,36-,37-,38?,41-,42-,43-,44-,45+,46?,47?,48+,49?,50?,51?,53?,54-,55-,56+,57-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)C(O)C4O)c3)[C@@H](O)C(O)C2O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph