2-all-trans-octaprenylphenol

Properties Image MNX_ID MNXM1368726 reference chebi:40407 formula C46H70O global charge 0 mol weight 639.065 InChIKey VUNQJPPPTJIREN-CMAXTTDKSA-N InChI InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+ 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=C(O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-35+ SMILES (mnx) [CH3:1][C:37]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:38]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:39]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:40]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:41]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:42]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:43]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:44]([CH3:9])=[CH:35]/[CH2:36][C:45]1=[CH:33][CH:10]=[CH:11][CH:34]=[C:46]1[OH:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 4