6-O-Oleuropeoylsucrose

Properties Image MNX_ID MNXM118469 reference chebi:168135 formula C22H36O13 global charge 0 mol weight 508.517 InChIKey NRXDBALRMKOHET-QWENIEMVSA-N InChI InChI=1S/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1 SMILES CC(C)(O)C1CC=C(C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)CC1 MNX internals InChI (mnx) InChI=1/C22H36O13/c1-21(2,31)11-5-3-10(4-6-11)19(30)32-8-13-14(25)16(27)17(28)20(33-13)35-22(9-24)18(29)15(26)12(7-23)34-22/h3,11-18,20,23-29,31H,4-9H2,1-2H3/t11?,12-,13-,14-,15-,16+,17-,18+,20-,22+/m1/s1 SMILES (mnx) [CH3:1][C:21]([CH3:2])([CH:11]1[CH2:5][CH:3]=[C:10]([C:19](=[O:30])[O:32][CH2:8][C@@H:13]2[C@@H:14]([OH:25])[C@H:16]([OH:27])[C@@H:17]([OH:28])[C@@H:20]([O:35][C@@:22]3([CH2:9][OH:24])[C@@H:18]([OH:29])[C@H:15]([OH:26])[C@@H:12]([CH2:7][OH:23])[O:34]3)[O:33]2)[CH2:4][CH2:6]1)[OH:31]

Parent-child relations graph

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