5,6-epoxy-alpha-tocopheryl quinone

Properties Image MNX_ID MNXM166522 reference biggM:CE5838 formula C29H50O4 global charge 0 mol weight 462.715 InChIKey XKMXNXGDIBTSKJ-MSJFMHLMSA-N InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/m0/s1 SMILES CC1=C(CC[C@](C)(O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)C2(C)OC2(C)C1=O MNX internals InChI (mnx) InChI=1/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/m0/s1 SMILES (mnx) [CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][C@H:21]([CH3:3])[CH2:14][CH2:10][CH2:15][C@H:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C@:27]([CH3:6])([CH2:19][CH2:17][C:24]1=[C:23]([CH3:5])[C:25](=[O:30])[C:28]2([CH3:7])[C:29]([CH3:8])([C:26]1=[O:31])[O:33]2)[OH:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1