Cyanidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranposyl)caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]

Properties Image Occurences in reactions MNX_ID MNXM26185 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C72H79O40 charge 1 mass 1583.41421 reference lipidmapsM:LMPK12010210 InChIKey GCCDPPQEZBMKPT-UAOYNRFESA-O InChI InChI=1S/C72H78O40/c73-22-44-52(85)57(90)62(95)69(107-44)104-41-20-31(75)19-40-32(41)21-43(66(102-40)30-7-10-34(77)37(80)18-30)106-72-67(112-71-65(98)60(93)55(88)47(110-71)25-100-51(84)14-6-29-2-9-35(78)42(17-29)105-70-63(96)58(91)53(86)45(23-74)108-70)61(94)56(89)48(111-72)26-101-50(83)13-5-28-3-11-39(38(81)16-28)103-68-64(97)59(92)54(87)46(109-68)24-99-49(82)12-4-27-1-8-33(76)36(79)15-27/h1-21,44-48,52-65,67-74,85-98H,22-26H2,(H6-,75,76,77,78,79,80,81,82,84)/p+1/b13-5+/t44?,45-,46?,47-,48?,52-,53-,54-,55+,56-,57+,58?,59+,60?,61+,62?,63?,64?,65?,67?,68-,69-,70-,71+,72-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCC1O[C@@H](Oc2ccc(/C=C/C(=O)OCC3O[C@@H](Oc4cc5c(O[C@@H]6OC(CO)[C@@H](O)[C@H](O)C6O)cc(O)cc5[o+]c4-c4ccc(O)c(O)c4)C(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O[C@@H]6O[C@H](CO)[C@@H](O)C(O)C6O)c5)[C@H](O)C(O)C4O)[C@@H](O)[C@@H]3O)cc2O)C(O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph