Thermoplasmaquinone-7

Properties Image MNX_ID MNXM161559 reference chebi:215482 formula C47H66O2 global charge 0 mol weight 663.043 InChIKey PSTBTGWGIRVMGP-LJWNYQGCSA-N InChI InChI=1S/C47H66O2/c1-34(2)18-11-19-35(3)20-12-21-36(4)22-13-23-37(5)24-14-25-38(6)26-15-27-39(7)28-16-29-40(8)32-33-43-42(10)46(48)45-41(9)30-17-31-44(45)47(43)49/h17-18,20,22,24,26,28,30-32H,11-16,19,21,23,25,27,29,33H2,1-10H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+ 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/CC1=C(C)C(=O)C2=C(C=CC=C2C)C1=O MNX internals InChI (mnx) InChI=1/C47H66O2/c1-34(2)18-11-19-35(3)20-12-21-36(4)22-13-23-37(5)24-14-25-38(6)26-15-27-39(7)28-16-29-40(8)32-33-43-42(10)46(48)45-41(9)30-17-31-44(45)47(43)49/h17-18,20,22,24,26,28,30-32H,11-16,19,21,23,25,27,29,33H2,1-10H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+ SMILES (mnx) [CH3:1][C:34]([CH3:2])=[CH:18][CH2:11][CH2:19]/[C:35]([CH3:3])=[CH:20]/[CH2:12][CH2:21]/[C:36]([CH3:4])=[CH:22]/[CH2:13][CH2:23]/[C:37]([CH3:5])=[CH:24]/[CH2:14][CH2:25]/[C:38]([CH3:6])=[CH:26]/[CH2:15][CH2:27]/[C:39]([CH3:7])=[CH:28]/[CH2:16][CH2:29]/[C:40]([CH3:8])=[CH:32]/[CH2:33][C:43]1=[C:42]([CH3:10])[C:46](=[O:48])[C:45]2=[C:41]([CH3:9])[CH:30]=[CH:17][CH:31]=[C:44]2[C:47]1=[O:49]

Parent-child relations graph

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