Casearupestrin B, (rel)-

Properties Image Occurences in reactions MNX_ID MNXM103555 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C34H48O9 charge 0 mass 600.32983 reference chebi:67956 InChIKey WGHDGSZCVSIZQE-WWRGVMLBSA-N InChI InChI=1S/C34H48O9/c1-8-10-11-12-13-14-15-16-28(38)42-29-22(4)33(7,18-17-21(3)9-2)27-20-25(37)19-26-31(40-23(5)35)43-32(41-24(6)36)34(26,27)30(29)39/h9,13-16,19,22,25,27,29-32,37,39H,2-3,8,10-12,17-18,20H2,1,4-7H3/b14-13+,16-15-/t22-,25+,27+,29-,30+,31+,32+,33-,34-/m1/s1 SMILES C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph