cyanidin 3-O-beta-D-(caffeoyl)-sambubioside

Properties Image Occurences in reactions MNX_ID MNXM167486 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C35H34O18 charge 0 mass 742.17451 reference metacycM:CPD-18097 InChIKey XGQPXBKBCOHIQI-YONICNLVSA-N InChI InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c([O-])cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Deprecated MNXref IDs graph