(-)-(7S,7'S,8R,8'R)-4,4'-dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan-9,9'-diol

Properties Image MNX_ID MNXM100866 reference chebi:68176 formula C22H28O9 global charge 0 mol weight 436.457 InChIKey WKDDUPJDCWIWAP-HCIHMXRSSA-N InChI InChI=1S/C22H28O9/c1-27-15-5-11(6-16(28-2)19(15)25)21-13(9-23)14(10-24)22(31-21)12-7-17(29-3)20(26)18(8-12)30-4/h5-8,13-14,21-26H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 SMILES COC1=CC([C@H]2O[C@H](C3=CC(OC)=C(O)C(OC)=C3)[C@@H](CO)[C@@H]2CO)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C22H28O9/c1-27-15-5-11(6-16(28-2)19(15)25)21-13(9-23)14(10-24)22(31-21)12-7-17(29-3)20(26)18(8-12)30-4/h5-8,13-14,21-26H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1 SMILES (mnx) [CH3:1][O:27][C:15]1=[C:19]([OH:25])[C:16]([O:28][CH3:2])=[CH:6][C:11]([C@@H:21]2[C@@H:13]([CH2:9][OH:23])[C@H:14]([CH2:10][OH:24])[C@@H:22]([C:12]3=[CH:7][C:17]([O:29][CH3:3])=[C:20]([OH:26])[C:18]([O:30][CH3:4])=[CH:8]3)[O:31]2)=[CH:5]1

Parent-child relations graph

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