5282367 -OEChem-10051722413D 73 74 0 0 0 0 0 0 0999 V2000 -3.2127 0.9693 1.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 3.0737 -1.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0424 -2.1159 -1.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 -3.1041 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 1.8375 -0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -1.9697 -0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 1.6110 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -0.7328 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 -2.3688 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -2.9846 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 2.3495 -1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6574 -2.6508 -1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 0.1976 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9847 1.6793 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 1.4590 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 2.2230 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -2.4137 0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 -2.6370 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 -2.0898 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1948 2.5851 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8919 -0.5279 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 -0.5866 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -2.4979 1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 2.7153 -2.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 1.3381 2.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3043 2.4283 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -2.5008 2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -0.2915 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.5433 3.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.0880 2.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 0.2453 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9517 0.5168 -1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 0.6116 -2.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.0552 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 -2.5031 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 -4.0762 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -3.2726 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 -0.9949 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -1.8164 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 2.2764 -1.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6553 1.9129 -0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 -3.1231 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 -3.9643 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -2.5720 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 -0.0790 -2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -2.5744 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -2.4947 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 -2.6101 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6428 -1.2410 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8348 0.4710 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -0.6927 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -0.1788 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 -0.0708 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 -3.5185 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -2.2246 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -1.8186 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 2.2838 -3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 3.8035 -2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5815 2.3475 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5308 0.9104 3.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 2.8499 0.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -3.5236 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 -1.8445 2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 -2.1710 2.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9234 -0.5417 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 1.2769 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 2.2462 3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 1.5792 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 0.2539 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -0.0689 -2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -0.0142 -2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 0.4809 -3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 1.6613 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 13 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 13 2 0 0 0 0 8 21 1 0 0 0 0 9 12 2 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 2 0 0 0 0 16 20 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 28 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 31 2 0 0 0 0 28 65 1 0 0 0 0 29 30 2 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 M END > DB12148 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DKHGMERMDICWDU-GHDNBGIDSA-N/SDF?record_type=3d > [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C > InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+ > DKHGMERMDICWDU-GHDNBGIDSA-N > C31H40O2 > 444.659 > 444.302830528 > 2 > 73 > 54.92492997785129 > 0 > 0 > 0 > 0 > 2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-1,4-dihydronaphthalene-1,4-dione > 7.24 > 8.479707364333333 > -5.96 > 0 > 2 > 0 > -7.224343414413889 > 34.14 > 145.50680000000003 > 11 > 0 > 4.89e-04 g/l > menatetrenone > 0 $$$$