(-)-syringaresinol

Properties Image MNX_ID MNXM30361 reference chebi:49212 formula C22H26O8 global charge 0 mol weight 418.442 InChIKey KOWMJRJXZMEZLD-WRMVBYCNSA-N InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1 SMILES COC1=CC([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1 SMILES (mnx) [CH3:1][O:25][C:15]1=[C:19]([OH:23])[C:16]([O:26][CH3:2])=[CH:6][C:11]([C@H:21]2[C@@H:13]3[CH2:9][O:30][C@@H:22]([C:12]4=[CH:7][C:17]([O:27][CH3:3])=[C:20]([OH:24])[C:18]([O:28][CH3:4])=[CH:8]4)[C@@H:14]3[CH2:10][O:29]2)=[CH:5]1

Parent-child relations graph

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