Mrv0541 05311207172D 175178 0 0 0 0 999 V2000 10.9419 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0211 2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -12.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 -4.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2385 6.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 4.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7428 6.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6608 1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8206 -11.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 -3.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6665 6.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 4.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9716 5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1234 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6435 -11.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5299 -4.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8953 5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2163 3.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7724 5.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 -11.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1019 -3.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3233 4.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 3.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0012 4.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2256 -0.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8267 -11.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9028 -3.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5521 3.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 2.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8021 4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8652 -1.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -10.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -3.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9801 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 2.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0309 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8318 3.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 -2.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0099 -10.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2756 -3.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2089 2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2756 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0606 2.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9675 -2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3702 -9.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8477 -2.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6368 1.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 1.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8614 2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4300 -3.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1931 -9.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6485 -2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8657 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3053 0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0902 1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0697 -4.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5534 -8.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2206 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2936 0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8911 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5322 -5.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3763 -8.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0214 -2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5224 -0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3350 -0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1199 0.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6345 -6.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 -7.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3943 -2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1792 -1.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5107 -10.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8110 -7.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5379 -10.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4669 -9.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -5.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0404 -5.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 -5.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7367 -7.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5934 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9504 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9183 -11.3637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1304 -10.1115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5517 -8.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7262 -8.6850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2863 -5.5083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5779 -5.2722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1928 -6.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6231 -2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5638 -0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9207 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1845 -7.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6072 -2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6406 -5.6263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6528 -3.9060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1248 -11.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9731 -9.0219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9260 -6.2504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9238 -10.3375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3048 -8.5382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9382 -4.5301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1031 -6.3095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4757 -3.8469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2924 -4.6481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0009 -4.8842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7351 -6.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1326 -9.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1426 -7.3806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3097 -9.9894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8177 -5.6853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4240 -3.1133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7390 -11.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7139 -10.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 -5.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2741 -7.2286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1193 -12.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9294 -9.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8834 -8.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9199 -7.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0511 -3.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9918 -1.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4928 0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4573 -6.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8063 -2.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5324 -11.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8883 -9.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3886 -6.9336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5285 -7.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5341 -6.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4929 -9.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5951 -10.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5405 -5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9068 -4.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6862 -5.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7745 -5.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6564 -3.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8926 -4.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4696 -4.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6801 -6.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3646 -1.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1496 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 -4.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7550 -5.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7428 -7.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8360 -3.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3945 -9.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3896 -7.7175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5163 -9.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7611 -4.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5383 -4.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2237 -5.1542 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.7155 -4.2601 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 -5.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1992 -8.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8223 -2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7512 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 -11.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -10.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3452 -9.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4793 -8.3481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9546 -5.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3310 -4.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 -6.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8649 -3.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3259 -11.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6414 -9.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7194 -6.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5635 -11.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5058 -9.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6065 -5.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -6.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2746 -3.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8299 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1780 -4.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 29 1 0 0 0 0 36 30 1 0 0 0 0 37 31 1 0 0 0 0 38 37 1 0 0 0 0 39 32 1 0 0 0 0 40 33 1 0 0 0 0 41 34 1 0 0 0 0 42 35 1 0 0 0 0 43 36 1 0 0 0 0 44 38 1 0 0 0 0 45 39 1 0 0 0 0 46 40 1 0 0 0 0 47 41 1 0 0 0 0 48 42 1 0 0 0 0 49 43 1 0 0 0 0 50 44 1 0 0 0 0 51 45 1 0 0 0 0 52 46 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 58 1 0 0 0 0 65 59 1 0 0 0 0 66 60 1 0 0 0 0 67 61 1 0 0 0 0 68 62 1 0 0 0 0 79 63 1 0 0 0 0 79 69 1 0 0 0 0 80 64 1 0 0 0 0 80 70 1 0 0 0 0 81 65 1 0 0 0 0 81 71 1 0 0 0 0 82 66 1 0 0 0 0 82 72 1 0 0 0 0 83 73 1 0 0 0 0 84 75 1 0 0 0 0 85 76 1 0 0 0 0 86 74 1 0 0 0 0 87 77 1 6 0 0 0 88 78 1 1 0 0 0 89 69 1 0 0 0 0 90 71 1 0 0 0 0 91 67 1 0 0 0 0 92 68 1 0 0 0 0 93 70 1 0 0 0 0 94 72 1 0 0 0 0 97 83 1 0 0 0 0 98 86 1 0 0 0 0 99 87 1 0 0 0 0 100 84 1 1 0 0 0 100 97 1 0 0 0 0 101 85 1 1 0 0 0 101 98 1 0 0 0 0 102 88 1 0 0 0 0 103 95 1 0 0 0 0 103 99 1 0 0 0 0 104 96 1 0 0 0 0 104102 1 0 0 0 0 105 96 1 0 0 0 0 106 95 1 0 0 0 0 109 74 1 0 0 0 0 109107 1 1 0 0 0 110 73 1 0 0 0 0 110108 1 1 0 0 0 111 89 2 0 0 0 0 95111 1 1 0 0 0 112 90 2 0 0 0 0 96112 1 6 0 0 0 113 75 1 0 0 0 0 114 76 1 0 0 0 0 115 79 1 0 0 0 0 116 80 1 0 0 0 0 83117 1 1 0 0 0 84118 1 6 0 0 0 85119 1 6 0 0 0 89120 1 4 0 0 0 90121 1 4 0 0 0 122 91 2 0 0 0 0 123 92 2 0 0 0 0 124 93 2 0 0 0 0 125 94 2 0 0 0 0 97126 1 1 0 0 0 98127 1 1 0 0 0 99128 1 1 0 0 0 129107 2 0 0 0 0 130107 1 0 0 0 0 131108 2 0 0 0 0 132108 1 0 0 0 0 139 77 1 0 0 0 0 105139 1 1 0 0 0 140 78 1 0 0 0 0 109140 1 6 0 0 0 141 81 1 0 0 0 0 141 91 1 0 0 0 0 142 82 1 0 0 0 0 142 92 1 0 0 0 0 143 87 1 0 0 0 0 143106 1 0 0 0 0 144 88 1 0 0 0 0 144105 1 0 0 0 0 145 93 1 0 0 0 0 103145 1 6 0 0 0 146 94 1 0 0 0 0 104146 1 1 0 0 0 86147 1 1 0 0 0 110147 1 6 0 0 0 148101 1 0 0 0 0 148109 1 0 0 0 0 149100 1 0 0 0 0 149110 1 0 0 0 0 102150 1 6 0 0 0 106151 1 1 0 0 0 152133 1 0 0 0 0 152134 1 0 0 0 0 152135 2 0 0 0 0 152150 1 0 0 0 0 153136 1 0 0 0 0 153137 1 0 0 0 0 153138 2 0 0 0 0 153151 1 0 0 0 0 154 79 1 0 0 0 0 155 80 1 0 0 0 0 156 81 1 0 0 0 0 157 82 1 0 0 0 0 83158 1 6 0 0 0 84159 1 6 0 0 0 85160 1 6 0 0 0 86161 1 6 0 0 0 87162 1 1 0 0 0 88163 1 6 0 0 0 95164 1 6 0 0 0 96165 1 1 0 0 0 97166 1 6 0 0 0 98167 1 6 0 0 0 99168 1 6 0 0 0 100169 1 6 0 0 0 101170 1 6 0 0 0 102171 1 1 0 0 0 103172 1 1 0 0 0 104173 1 6 0 0 0 105174 1 6 0 0 0 106175 1 6 0 0 0 M END > M2MDB001447 > M2MDB > [H]C(O)(CCCCCCCCCCC)CC(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO[C@]2([H])O[C@]([H])(CO[C@@]3(C[C@@]([H])(O[C@@]4(C[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O4)[C@]([H])(O)CO)C(O)=O)[C@@]([H])(O)[C@]([H])(O3)[C@]([H])(O)CO)C(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OC(=O)CC([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@]2([H])N=C(O)CC([H])(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@]([H])(OP(O)(O)=O)[C@]1([H])N=C(O)CC([H])(O)CCCCCCCCCCC > InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t79?,80?,81?,82?,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1 > DIXUKJUHGLIZGU-ZKUMOPDFSA-N > C110H202N2O39P2 > 2238.7184 > 2237.335997756 > 35 > 249.1595537295019 > 0 > 18 > 0 > 0 > (2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-[(1,3-dihydroxytetradecylidene)amino]-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid > 4.35 > 22.641770333666667 > -5.08 > 1 > 4 > -5 > 1.1880537081447367 > 0.5457710102866278 > 645.4100000000004 > 564.6368999999996 > 98 > 0 > 1.86e-02 g/l > (2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-5-[(1,3-dihydroxytetradecylidene)amino]-3-hydroxy-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonooxy)oxan-2-yl]methoxy}-5-{[3-(dodecanoyloxy)-1-hydroxytetradecylidene]amino}-3-(phosphonooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid > 0 > ECMDB21031 > KDO2-Lipid A $$$$