cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside

Properties Image Occurences in reactions MNX_ID MNXM29449 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C35H34O17 charge 0 mass 726.1796 reference metacycM:CPD-16536 InChIKey KMIJRKZNTFVLAI-YONICNLVSA-N InChI InChI=1S/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 SMILES O=C(/C=C/c1ccc(O)cc1)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

Parent-child relations graph

Deprecated MNXref IDs graph