6,6'-Di-O-caffeoylcatalpol

Properties Image Occurences in reactions MNX_ID MNXM102080 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C33H34O16 charge 0 mass 686.18469 reference chebi:69803 InChIKey XCBSVKAYBNIRSG-ASSNFAMTSA-N InChI InChI=1S/C33H34O16/c34-14-33-25-17(29(30(33)49-33)47-24(40)8-4-16-2-6-19(36)21(38)12-16)9-10-44-31(25)48-32-28(43)27(42)26(41)22(46-32)13-45-23(39)7-3-15-1-5-18(35)20(37)11-15/h1-12,17,22,25-32,34-38,41-43H,13-14H2/b7-3+,8-4+/t17-,22-,25-,26-,27+,28-,29+,30+,31+,32+,33-/m1/s1 SMILES O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph