Lyciumoside IX

Properties Image MNX_ID MNXM127484 reference chebi:168046 formula C35H56O15 global charge 0 mol weight 716.818 InChIKey YBNJPPHBFMDKTB-AFAFYZGOSA-N InChI InChI=1S/C35H56O15/c1-6-35(5,50-34-32(45)30(43)28(41)24(49-34)19-46-26(39)16-25(37)38)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)18-47-33-31(44)29(42)27(40)23(17-36)48-33/h6,10,13-14,23-24,27-34,36,40-45H,1,7-9,11-12,15-19H2,2-5H3,(H,37,38)/b20-10-,21-14+,22-13+ SMILES C=CC(C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)COC1OC(CO)C(O)C(O)C1O)OC1OC(COC(=O)CC(=O)O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C35H56O15/c1-6-35(5,50-34-32(45)30(43)28(41)24(49-34)19-46-26(39)16-25(37)38)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)18-47-33-31(44)29(42)27(40)23(17-36)48-33/h6,10,13-14,23-24,27-34,36,40-45H,1,7-9,11-12,15-19H2,2-5H3,(H,37,38)/b20-10-,21-14+,22-13+/t23?,24?,27?,28?,29?,30?,31?,32?,33?,34?,35? SMILES (mnx) [CH2:1]=[CH:6][C:35]([CH3:5])([CH2:15][CH2:9]/[CH:14]=[C:21](\[CH3:3])[CH2:11][CH2:7]/[CH:10]=[C:20](/[CH3:2])[CH2:12][CH2:8]/[CH:13]=[C:22](\[CH3:4])[CH2:18][O:47][CH:33]1[CH:31]([OH:44])[CH:29]([OH:42])[CH:27]([OH:40])[CH:23]([CH2:17][OH:36])[O:48]1)[O:50][CH:34]1[CH:32]([OH:45])[CH:30]([OH:43])[CH:28]([OH:41])[CH:24]([CH2:19][O:46][C:26]([CH2:16][C:25](=[O:37])[OH:38])=[O:39])[O:49]1

Parent-child relations graph

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