(-)-(7R,8S,7''S,8''R)-3,3'',5,5'-tetramethoxy-4''-hydroxy-4',7-epoxy-8',9'-dinor-4,8''-oxy-8,3'-sesquineolignan-7'',9,9''-triol-7'-al

Properties Image MNX_ID MNXM100864 reference chebi:67625 formula C29H32O11 global charge 0 mol weight 556.564 InChIKey HSGQUCFRADTCMJ-WXYGLEJPSA-N InChI InChI=1S/C29H32O11/c1-35-21-9-16(5-6-20(21)33)26(34)25(14-32)39-29-23(37-3)10-17(11-24(29)38-4)27-19(13-31)18-7-15(12-30)8-22(36-2)28(18)40-27/h5-12,19,25-27,31-34H,13-14H2,1-4H3/t19-,25-,26+,27+/m1/s1 SMILES COC1=CC([C@@H]2OC3=C(C=C(C=O)C=C3OC)[C@H]2CO)=CC(OC)=C1O[C@H](CO)[C@@H](O)C1=CC(OC)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C29H32O11/c1-35-21-9-16(5-6-20(21)33)26(34)25(14-32)39-29-23(37-3)10-17(11-24(29)38-4)27-19(13-31)18-7-15(12-30)8-22(36-2)28(18)40-27/h5-12,19,25-27,31-34H,13-14H2,1-4H3/t19-,25-,26+,27+/m1/s1 SMILES (mnx) [CH3:1][O:35][C:21]1=[C:20]([OH:33])[CH:6]=[CH:5][C:16]([C@@H:26]([C@@H:25]([CH2:14][OH:32])[O:39][C:29]2=[C:23]([O:37][CH3:3])[CH:10]=[C:17]([C@H:27]3[C@H:19]([CH2:13][OH:31])[C:18]4=[C:28]([C:22]([O:36][CH3:2])=[CH:8][C:15]([CH:12]=[O:30])=[CH:7]4)[O:40]3)[CH:11]=[C:24]2[O:38][CH3:4])[OH:34])=[CH:9]1

Parent-child relations graph

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