caudatin-3-O-beta-cymaropyranoside

Properties Image Occurences in reactions MNX_ID MNXM103571 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C35H54O10 charge 0 mass 634.3717 reference chebi:65603 InChIKey HXGDOYDEDXYRPY-MHKUKWNSSA-N InChI InChI=1S/C35H54O10/c1-19(2)20(3)15-28(37)45-27-18-26-31(6)11-10-24(44-29-17-25(42-8)30(38)21(4)43-29)16-23(31)9-12-34(26,40)35(41)14-13-33(39,22(5)36)32(27,35)7/h9,15,19,21,24-27,29-30,38-41H,10-14,16-18H2,1-8H3/b20-15+/t21-,24+,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-/m1/s1 SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph