2,3-dihydro-3beta-O-sulfate withaferin A

Properties Image Occurences in reactions MNX_ID MNXM101561 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H40O10S charge 0 mass 568.23422 reference chebi:69123 InChIKey DVTZXBWRHRFDEE-WQWZRYHASA-N InChI InChI=1S/C28H40O10S/c1-13-9-20(36-25(32)16(13)12-29)14(2)17-5-6-18-15-10-23-28(37-23)24(31)21(38-39(33,34)35)11-22(30)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29,31H,5-12H2,1-4H3,(H,33,34,35)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1 SMILES CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](OS(=O)(=O)O)CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1

Parent-child relations graph

Deprecated MNXref IDs graph