(-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol

Properties Image MNX_ID MNXM100855 reference chebi:67633 formula C32H38O12 global charge 0 mol weight 614.644 InChIKey GXFLHQASUNLZNY-QZSXCKCASA-N InChI InChI=1S/C32H38O12/c1-37-22-9-16(10-23(38-2)28(22)36)29-19-14-43-30(20(19)15-42-29)17-11-24(39-3)32(25(12-17)40-4)44-26(13-33)27(35)18-7-6-8-21(34)31(18)41-5/h6-12,19-20,26-27,29-30,33-36H,13-15H2,1-5H3/t19-,20-,26+,27-,29+,30+/m1/s1 SMILES COC1=CC([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3C2=CC(OC)=C(O[C@@H](CO)[C@H](O)C3=C(OC)C(O)=CC=C3)C(OC)=C2)=CC(OC)=C1O MNX internals InChI (mnx) InChI=1/C32H38O12/c1-37-22-9-16(10-23(38-2)28(22)36)29-19-14-43-30(20(19)15-42-29)17-11-24(39-3)32(25(12-17)40-4)44-26(13-33)27(35)18-7-6-8-21(34)31(18)41-5/h6-12,19-20,26-27,29-30,33-36H,13-15H2,1-5H3/t19-,20-,26+,27-,29+,30+/m1/s1 SMILES (mnx) [CH3:1][O:37][C:22]1=[C:28]([OH:36])[C:23]([O:38][CH3:2])=[CH:10][C:16]([C@H:29]2[C@@H:19]3[CH2:14][O:43][C@@H:30]([C:17]4=[CH:11][C:24]([O:39][CH3:3])=[C:32]([O:44][C@@H:26]([CH2:13][OH:33])[C@@H:27]([C:18]5=[C:31]([O:41][CH3:5])[C:21]([OH:34])=[CH:8][CH:6]=[CH:7]5)[OH:35])[C:25]([O:40][CH3:4])=[CH:12]4)[C@@H:20]3[CH2:15][O:42]2)=[CH:9]1

Parent-child relations graph

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