(E)-trans-miyabenol C

Properties Image MNX_ID MNXM120607 reference chebi:76193 formula C42H32O9 global charge 0 mol weight 680.709 InChIKey RKFYYCKIHVEWHX-YOBICRQBSA-N InChI InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38-,40+,41+,42-/m1/s1 SMILES OC1=CC=C(/C=C/C2=CC(O)=CC3=C2[C@H](C2=CC(O)=CC4=C2[C@@H](C2=CC(O)=CC(O)=C2)[C@H](C2=CC=C(O)C=C2)O4)[C@@H](C2=CC=C(O)C=C2)O3)C=C1 MNX internals InChI (mnx) InChI=1/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38-,40+,41+,42-/m1/s1 SMILES (mnx) [CH:1](=[CH:4]/[C:25]1=[CH:15][C:32]([OH:48])=[CH:20][C:35]2=[C:37]1[C@H:40]([C:34]1=[C:39]3[C:36](=[CH:21][C:33]([OH:49])=[CH:19]1)[O:51][C@@H:41]([C:23]1=[CH:6][CH:12]=[C:28]([OH:44])[CH:11]=[CH:5]1)[C@@H:38]3[C:26]1=[CH:16][C:30]([OH:46])=[CH:18][C:31]([OH:47])=[CH:17]1)[C@@H:42]([C:24]1=[CH:8][CH:14]=[C:29]([OH:45])[CH:13]=[CH:7]1)[O:50]2)\[C:22]1=[CH:3][CH:10]=[C:27]([OH:43])[CH:9]=[CH:2]1

Parent-child relations graph

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