13'-Hydroxy-gamma-tocotrienol

Properties Image MNX_ID MNXM33320 reference chebi:231108 formula C28H42O3 global charge 0 mol weight 426.641 InChIKey BUWYMGRHXZROTQ-XYSSNJNPSA-N InChI InChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1 SMILES CC1=C(C)C2=C(C=C1O)CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O2 MNX internals InChI (mnx) InChI=1/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1 SMILES (mnx) [CH3:1]/[C:20](=[CH:10]\[CH2:7][CH2:11]/[C:21]([CH3:2])=[CH:14]/[CH2:9][CH2:16][C@@:28]1([CH3:6])[CH2:17][CH2:15][C:25]2=[CH:18][C:26]([OH:30])=[C:23]([CH3:4])[C:24]([CH3:5])=[C:27]2[O:31]1)[CH2:12][CH2:8]/[CH:13]=[C:22](\[CH3:3])[CH2:19][OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2