4-hydroxy-3-(all-trans-octaprenyl)benzoate

Properties Image MNX_ID MNXM1368760 reference chebi:1617 formula C47H69O3 global charge -1 mol weight 682.066 InChIKey UTIBHEBNILDQKX-LQOKPSQISA-M InChI InChI=1S/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/p-1/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ 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(C(=O)[O-])=CC=C1O MNX internals InChI (mnx) InChI=1/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33-35,48H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,49,50)/b37-19+,38-21+,39-23+,40-25+,41-27+,42-29+,43-31+ SMILES (mnx) [CH3:1][C:36]([CH3:2])=[CH:17][CH2:10][CH2:18]/[C:37]([CH3:3])=[CH:19]/[CH2:11][CH2:20]/[C:38]([CH3:4])=[CH:21]/[CH2:12][CH2:22]/[C:39]([CH3:5])=[CH:23]/[CH2:13][CH2:24]/[C:40]([CH3:6])=[CH:25]/[CH2:14][CH2:26]/[C:41]([CH3:7])=[CH:27]/[CH2:15][CH2:28]/[C:42]([CH3:8])=[CH:29]/[CH2:16][CH2:30]/[C:43]([CH3:9])=[CH:31]/[CH2:32][C:44]1=[C:46]([OH:48])[CH:34]=[CH:33][C:45]([C:47]([OH:49])=[O:50])=[CH:35]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 3