2'',6''-Di-O-acetylononin

Properties Image MNX_ID MNXM116226 reference chebi:176196 formula C26H26O11 global charge 0 mol weight 514.483 InChIKey WAYQNCRYBDCMOP-UHFFFAOYSA-N InChI InChI=1S/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3 SMILES COC1=CC=C(C2=COC3=CC(OC4OC(COC(C)=O)C(O)C(O)C4OC(C)=O)=CC=C3C2=O)C=C1 MNX internals InChI (mnx) InChI=1/C26H26O11/c1-13(27)33-12-21-23(30)24(31)25(35-14(2)28)26(37-21)36-17-8-9-18-20(10-17)34-11-19(22(18)29)15-4-6-16(32-3)7-5-15/h4-11,21,23-26,30-31H,12H2,1-3H3/t21?,23?,24?,25?,26? SMILES (mnx) [CH3:1][C:13](=[O:27])[O:33][CH2:12][CH:21]1[CH:23]([OH:30])[CH:24]([OH:31])[CH:25]([O:35][C:14]([CH3:2])=[O:28])[CH:26]([O:36][C:17]2=[CH:10][C:20]3=[C:18]([CH:9]=[CH:8]2)[C:22](=[O:29])[C:19]([C:15]2=[CH:5][CH:7]=[C:16]([O:32][CH3:3])[CH:6]=[CH:4]2)=[CH:11][O:34]3)[O:37]1

Parent-child relations graph

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