Mrv1533005141521392D 62 62 0 0 0 0 999 V2000 -13.5749 25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 25.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 21.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 20.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 19.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 18.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 18.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 16.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 15.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 14.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 4 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 4 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 4 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 4 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 4 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 34 35 1 4 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 39 40 1 4 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 44 45 1 4 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 49 50 1 4 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 56 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 61 62 1 0 0 0 0 51 61 1 0 0 0 0 M END > NP0339826 > NP-MRD > COC1=C(O)C(C)=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=C1O > InChI=1S/C58H90O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)58(62-13)57(61)56(54)60/h23,25,27,29,31,33,35,37,39,41,59-61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3 > NNUPTRSALHLEEI-UHFFFAOYSA-N > C58H90O4 > 851.354 > 850.683911378 > 4 > 152 > 108.65134428070834 > 0 > 3 > 0 > 0 > 6-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-3-methoxy-5-methylbenzene-1,2,4-triol > 9.61 > 18.084295449 > -6.48 > 0 > 1 > 0 > 11.914702648920366 > 9.931332601456123 > -4.724162939428399 > 69.92 > 281.97130000000004 > 30 > 0 > 2.84e-04 g/l > 6-(3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl)-3-methoxy-5-methylbenzene-1,2,4-triol > 0 > NP0339826 > 3-demethylubiquinol-10 $$$$