(+)-alpha-viniferin

Properties Image MNX_ID MNXM100760 reference chebi:66359 formula C42H30O9 global charge 0 mol weight 678.693 InChIKey KUTVNHOAKHJJFL-ZSIJVUTGSA-N InChI InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1 SMILES OC1=CC=C([C@H]2OC3=CC(O)=CC4=C3[C@@H]2C2=C3C(=CC(O)=C2)O[C@@H](C2=CC=C(O)C=C2)[C@@H]3C2=C3C(=CC(O)=C2)O[C@@H](C2=CC=C(O)C=C2)[C@H]43)C=C1 MNX internals InChI (mnx) InChI=1/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1 SMILES (mnx) [CH:1]1=[CH:7][C:22]([OH:43])=[CH:8][CH:2]=[C:19]1[C@H:40]1[C@@H:37]2[C:28]3=[C:35]4[C:32](=[CH:17][C:25]([OH:46])=[CH:13]3)[O:50][C@H:42]([C:21]3=[CH:6][CH:12]=[C:24]([OH:45])[CH:11]=[CH:5]3)[C@H:39]4[C:30]3=[CH:15][C:27]([OH:48])=[CH:18][C:33]4=[C:36]3[C@@H:38]([C:29]3=[CH:14][C:26]([OH:47])=[CH:16][C:31](=[C:34]32)[O:49]1)[C@H:41]([C:20]1=[CH:4][CH:10]=[C:23]([OH:44])[CH:9]=[CH:3]1)[O:51]4

Parent-child relations graph

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