1019 3D 46 47 0 0 1 0 0 0 0 0999 V2000 6.6420 -7.6137 4.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3227 -6.9889 3.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2399 -6.6367 2.2495 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 -6.8239 2.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9366 -7.4403 3.6897 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0457 -7.9836 4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5022 -6.5550 1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -6.3811 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 -7.6491 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7727 -7.3598 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 -6.2094 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1142 -5.1271 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1586 -8.6178 -1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5632 -8.7573 -1.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8442 -5.7781 -2.4032 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 -4.5016 1.1853 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 -4.0888 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3106 -9.9446 -1.1822 P 0 0 0 0 0 0 0 0 0 0 0 0 10.8226 -9.8156 -1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4171 -9.3508 0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7203 -11.3202 -1.3024 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2378 -10.3312 -1.1430 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 -10.3997 -2.1386 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8768 -11.7479 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4896 -9.3114 0.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6167 -9.2173 1.2484 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 -8.1073 2.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0067 -9.1382 0.4092 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6556 -10.7141 1.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3535 -8.7289 5.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 -7.9326 5.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2764 -6.7918 3.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -6.1298 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9151 -7.6652 3.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 -7.0146 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7502 -6.5253 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 -9.5106 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7276 -8.5865 -2.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7198 -6.0450 -2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 -4.0164 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 -3.0822 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -4.2052 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7088 -8.4185 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3859 -12.5524 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9654 -8.8674 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8389 -11.2567 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 8 3 1 0 0 0 0 4 7 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 8 33 1 0 0 0 0 5 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 20 43 1 0 0 0 0 24 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END > 147.05813400754357 > InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10?/m1/s1 > IPHULAIUXUVCHH-NCYAXNGYSA-N > 1/1/N:17,1,2,13,10,6,11,8,4,12,16,5,3,30,15,7,27,28,29,20,21,23,24,14,9,25,19,26,18,22/E:(17,18,19)(20,21)(22,23)/it:im/rA:46cCCNCNCOCOCCCCOOFCPOOOPOOOPOOOOHHHHHHHHHHHHHHHH/rB:d1;s2;s3;s4;s1s5;d4;s3;s8;s9;s10;s8s11;s10;s13;s11;s12;s12;s14;s18;s18;d18;s19;d22;s22;s22;s25;d26;s26;s26;d6;s1;s2;s8;s5;s10;s11;s13;s13;s15;s17;s17;s17;s20;s24;s28;s29;/rC:6.642,-7.6137,4.3623;6.3227,-6.9889,3.2292;7.2399,-6.6367,2.2495;8.6188,-6.8239,2.4642;8.9366,-7.4403,3.6897;8.0457,-7.9836,4.601;9.5022,-6.555,1.65;6.664,-6.3811,.8989;6.6035,-7.6491,.2515;6.7727,-7.3598,-1.1045;7.7551,-6.2094,-1.039;7.1142,-5.1271,-.058;7.1586,-8.6178,-1.8745;8.5632,-8.7573,-1.9896;7.8442,-5.7781,-2.4032;7.2332,-4.5016,1.1853;8.2465,-4.0888,-.4272;9.3106,-9.9446,-1.1822;10.8226,-9.8156,-1.7393;9.4171,-9.3508,.3163;8.7203,-11.3202,-1.3024;12.2378,-10.3312,-1.143;13.3588,-10.3997,-2.1386;11.8768,-11.7479,-.4376;12.4896,-9.3114,.0888;13.6167,-9.2173,1.2484;13.3875,-8.1073,2.2381;15.0067,-9.1382,.4092;13.6556,-10.7141,1.8756;8.3535,-8.7289,5.5255;5.8886,-7.9326,5.0692;5.2764,-6.7918,3.0156;5.6054,-6.1298,1.0626;9.9151,-7.6652,3.8418;5.8085,-7.0146,-1.5028;8.7502,-6.5253,-.6971;6.7382,-9.5106,-1.4015;6.7276,-8.5865,-2.8799;8.7198,-6.045,-2.7324;8.5559,-4.0164,-1.4755;7.8414,-3.0822,-.2367;9.1546,-4.2052,.1811;9.7088,-8.4185,.3929;12.3859,-12.5524,-.6893;14.9654,-8.8674,-.536;12.8389,-11.2567,1.8281; > C10 H16 F N2 O14 P3 > 500.1587 > C1([H])=C([H])N([C@@]2([H])[C@](C([H])([H])[H])(F)[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](OP(O[H])(O[H])=O)(O[H])=O)O2)C(N([H])C1=O)=O > 23327939 $$$$