2-methoxy-5-methyl-6-all-trans-octaprenyl-1,4-benzoquinone

Properties Image MNX_ID MNXM1372536 reference chebi:28636 formula C48H72O3 global charge 0 mol weight 697.101 InChIKey FLYBTLROCQBHMR-KFSSTAEESA-N InChI InChI=1S/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+ SMILES COC1=CC(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O MNX internals InChI (mnx) InChI=1/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+ SMILES (mnx) [CH3:1][C:36]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:37]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:38]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:39]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:40]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:41]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:42]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:43]([CH3:9])=[CH:33]/[CH2:34][C:45]1=[C:44]([CH3:10])[C:46](=[O:49])[CH:35]=[C:47]([O:51][CH3:11])[C:48]1=[O:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2