2-demethylmenaquinol-8

Properties Image MNX_ID MNXM558 reference chebi:61873 formula C50H72O2 global charge 0 mol weight 705.124 InChIKey FGYPGICSXJEKCG-AENDIINCSA-N InChI InChI=1S/C50H72O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37,51-52H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+ SMILES CC(C)=CCC/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/CC1=CC(O)=C2C=CC=CC2=C1O MNX internals InChI (mnx) InChI=1/C50H72O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37,51-52H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+ SMILES (mnx) [CH3:1][C:38]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:39]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:40]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:41]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:42]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:43]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:44]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:45]([CH3:9])=[CH:35]/[CH2:36][C:46]1=[C:50]([OH:52])[C:48]2=[CH:34][CH:11]=[CH:10][CH:33]=[C:47]2[C:49]([OH:51])=[CH:37]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 53 in models (compartimentalized) 24