Desglucocheirotoxol

Properties Image MNX_ID MNXM124312 reference chebi:176019 formula C29H44O10 global charge 0 mol weight 552.661 InChIKey UQEKVLJMBGSQGS-UHFFFAOYSA-N InChI InChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3 SMILES CC1OC(OC2CCC3(CO)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3/t15?,17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29? SMILES (mnx) [CH3:1][CH:15]1[CH:22]([OH:32])[CH:23]([OH:33])[CH:24]([OH:34])[CH:25]([O:39][CH:17]2[CH2:3][CH2:8][C:27]3([CH2:14][OH:30])[CH:19]4[CH2:4][CH2:7][C:26]5([CH3:2])[CH:18]([C:16]6=[CH:11][C:21](=[O:31])[O:37][CH2:13]6)[CH2:6][CH2:10][C:29]5([OH:36])[CH:20]4[CH2:5][CH2:9][C:28]3([OH:35])[CH2:12]2)[O:38]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0