Vomifoliol 9-[glucosyl-(1->4)-xylosyl-(1->6)-glucoside]

Properties Image MNX_ID MNXM145343 reference chebi:172797 formula C30H48O17 global charge 0 mol weight 680.697 InChIKey UGIAZMRSYPJDAZ-AATRIKPKSA-N InChI InChI=1S/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+ SMILES CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)OC1OC(COC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O MNX internals InChI (mnx) InChI=1/C30H48O17/c1-12-7-14(32)8-29(3,4)30(12,41)6-5-13(2)44-27-24(39)22(37)19(34)16(46-27)10-42-26-23(38)20(35)17(11-43-26)47-28-25(40)21(36)18(33)15(9-31)45-28/h5-7,13,15-28,31,33-41H,8-11H2,1-4H3/b6-5+/t13?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30? SMILES (mnx) [CH3:1][C:12]1=[CH:7][C:14](=[O:32])[CH2:8][C:29]([CH3:3])([CH3:4])[C:30]1(/[CH:6]=[CH:5]/[CH:13]([CH3:2])[O:44][CH:27]1[CH:24]([OH:39])[CH:22]([OH:37])[CH:19]([OH:34])[CH:16]([CH2:10][O:42][CH:26]2[CH:23]([OH:38])[CH:20]([OH:35])[CH:17]([O:47][CH:28]3[CH:25]([OH:40])[CH:21]([OH:36])[CH:18]([OH:33])[CH:15]([CH2:9][OH:31])[O:45]3)[CH2:11][O:43]2)[O:46]1)[OH:41]

Parent-child relations graph

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