735 -OEChem-10051721103D 65 64 0 1 0 0 0 0 0999 V2000 -3.1089 1.7543 -1.1123 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.2895 1.2484 1.7800 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 2.2257 -1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 0.8532 0.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 0.6672 -2.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0984 2.8738 -1.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5772 2.2108 1.9472 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 -0.1196 2.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9897 1.8280 2.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0165 -1.2353 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -2.1783 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 0.2369 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 2.6238 -0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8535 -2.5519 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 -2.2284 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 3.1498 -1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7508 -1.9480 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3233 1.1440 -0.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -3.3853 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6439 2.5401 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3246 0.6757 1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -3.5880 -0.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -3.0038 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7559 1.8665 -1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 2.7489 0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -3.1654 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 1.2555 -0.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 -2.7149 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 -3.7834 -1.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 -1.4760 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -1.4370 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 -3.2174 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 -2.0478 1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 2.8908 0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 3.1278 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -1.9044 -1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1813 -1.3685 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 4.2393 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 2.9624 -2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -1.1877 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 0.7792 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -4.2481 -0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 -3.7308 1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 0.1205 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 1.7325 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5624 0.4810 2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8085 -3.4245 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -3.5713 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 -4.5905 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 -2.5263 1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 1.7594 -2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 2.7042 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7316 3.7440 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9266 2.0020 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 0.3847 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 0.9095 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6285 -1.9399 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0372 -3.5580 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 -2.3015 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -4.7031 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -4.0323 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -3.0892 -2.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0185 0.3334 -2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 2.6514 2.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 -0.1648 3.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 27 1 0 0 0 0 5 63 1 0 0 0 0 7 64 1 0 0 0 0 8 65 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 18 2 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > DB07841 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OINNEUNVOZHBOX-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O > InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23) > OINNEUNVOZHBOX-UHFFFAOYSA-N > C20H36O7P2 > 450.449 > 450.193627495 > 5 > 65 > 47.236467957447395 > 0 > 3 > 0 > 1 > ({hydroxy[(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)oxy]phosphoryl}oxy)phosphonic acid > 3.57 > 5.276447335666666 > -4.99 > 0 > 0 > -2 > 3.2043406094078315 > 1.7672186885241006 > 113.29000000000002 > 120.53309999999996 > 14 > 0 > 4.63e-03 g/l > geranylgeranyl diphosphate > 0 $$$$