3-demethylubiquinol-7

Properties Image MNX_ID MNXM9999 reference chebi:84431 formula C43H66O4 global charge 0 mol weight 646.997 InChIKey OHBHBMXNJCUMCR-DKCCAHEHSA-N InChI InChI=1S/C43H66O4/c1-31(2)17-11-18-32(3)19-12-20-33(4)21-13-22-34(5)23-14-24-35(6)25-15-26-36(7)27-16-28-37(8)29-30-39-38(9)40(44)42(46)43(47-10)41(39)45/h17,19,21,23,25,27,29,44-46H,11-16,18,20,22,24,26,28,30H2,1-10H3/b32-19+,33-21+,34-23+,35-25+,36-27+,37-29+ SMILES COC1=C(O)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)CCC=C(C)C)=C(C)C(O)=C1O MNX internals InChI (mnx) InChI=1/C43H66O4/c1-31(2)17-11-18-32(3)19-12-20-33(4)21-13-22-34(5)23-14-24-35(6)25-15-26-36(7)27-16-28-37(8)29-30-39-38(9)40(44)42(46)43(47-10)41(39)45/h17,19,21,23,25,27,29,44-46H,11-16,18,20,22,24,26,28,30H2,1-10H3/b32-19+,33-21+,34-23+,35-25+,36-27+,37-29+ SMILES (mnx) [CH3:1][C:31]([CH3:2])=[CH:17][CH2:11][CH2:18]/[C:32]([CH3:3])=[CH:19]/[CH2:12][CH2:20]/[C:33]([CH3:4])=[CH:21]/[CH2:13][CH2:22]/[C:34]([CH3:5])=[CH:23]/[CH2:14][CH2:24]/[C:35]([CH3:6])=[CH:25]/[CH2:15][CH2:26]/[C:36]([CH3:7])=[CH:27]/[CH2:16][CH2:28]/[C:37]([CH3:8])=[CH:29]/[CH2:30][C:39]1=[C:38]([CH3:9])[C:40]([OH:44])=[C:42]([OH:46])[C:43]([O:47][CH3:10])=[C:41]1[OH:45]

Parent-child relations graph

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