Mrv0541 02241202482D 173180 0 0 1 0 999 V2000 6.6162 -19.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -19.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -19.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -18.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -18.2319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3306 -18.6444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0451 -18.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 -17.4069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3306 -16.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -17.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -16.9944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9017 -16.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1630 -15.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4244 -16.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -15.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 -17.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2439 -16.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -16.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5431 -16.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8950 -17.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 -19.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4962 -15.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4943 -15.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2078 -16.3783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7789 -16.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0654 -15.9609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0673 -15.1359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3537 -14.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6384 -15.1326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6364 -15.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -16.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3480 -17.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6326 -17.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6307 -18.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3683 -18.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0616 -17.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9491 -14.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 -15.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -13.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7377 -14.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7827 -14.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2853 -11.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5838 -12.0762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0669 -12.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3655 -13.4883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1808 -13.6144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6976 -12.9713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3991 -12.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 -13.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4793 -14.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2054 -12.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8416 -10.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5633 -11.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8517 -12.5978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3266 -13.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6150 -14.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4286 -14.1437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9537 -13.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6654 -12.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7674 -13.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7170 -14.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0898 -14.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7497 -11.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -14.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 -13.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 -13.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 -13.4256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 -13.8406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0693 -14.6656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7822 -15.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 -14.6706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5010 -13.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -13.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 -12.6056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5069 -12.1956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5099 -11.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7727 -10.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0850 -12.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0779 -12.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3808 -14.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 -14.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8114 -15.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -15.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 -9.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 -10.3846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3529 -10.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8243 -10.8768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1084 -11.6514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9213 -11.7925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4499 -11.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5797 -12.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -10.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -9.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4102 -8.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8639 -13.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5241 -13.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 -13.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 -7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0278 -8.5530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2189 -8.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6741 -9.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9383 -9.7921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7472 -9.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2920 -9.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -10.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 -8.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9547 -7.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3084 -7.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -8.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -7.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7523 -6.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -7.1107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -7.6418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6460 -8.4541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2773 -8.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -8.7042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1974 -7.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 -7.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7105 -6.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4862 -6.2674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6354 -5.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -4.8785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 -6.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -9.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -9.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8028 -10.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 -8.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4869 -14.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1963 -13.6268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9157 -14.0306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6252 -13.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3446 -14.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0540 -13.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7735 -13.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4829 -13.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2024 -13.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 -13.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6312 -13.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3407 -13.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0601 -13.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7695 -13.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4890 -13.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1984 -13.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9178 -13.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9257 -14.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1863 -12.8018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6274 -13.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3332 -12.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6191 -12.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9043 -12.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1902 -12.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4753 -12.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7613 -12.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0464 -12.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3323 -12.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6175 -12.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9029 -12.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1889 -12.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4740 -12.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7599 -12.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0450 -12.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3310 -12.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6162 -12.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9021 -12.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1872 -12.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4731 -12.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7582 -12.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0441 -12.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3293 -12.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6152 -12.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9004 -12.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8996 -11.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 1 0 0 0 8 20 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 1 0 0 0 13 14 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 37 1 1 0 0 0 29 40 1 6 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 36 1 6 0 0 0 33 34 1 0 0 0 0 33 20 1 1 0 0 0 34 35 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 43 42 1 1 0 0 0 42 52 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 51 1 1 0 0 0 45 46 1 0 0 0 0 45 40 1 1 0 0 0 46 47 1 0 0 0 0 46 50 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 54 53 1 1 0 0 0 53 63 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 55 49 1 6 0 0 0 56 57 1 0 0 0 0 56 62 1 1 0 0 0 57 58 1 0 0 0 0 57 61 1 6 0 0 0 58 59 1 0 0 0 0 58 60 1 1 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 83 1 6 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 80 1 1 0 0 0 71 15 1 6 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 79 1 6 0 0 0 75 76 1 0 0 0 0 75 78 1 1 0 0 0 76 77 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 85 84 1 1 0 0 0 84 94 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 86 87 1 0 0 0 0 86 93 1 1 0 0 0 87 88 1 0 0 0 0 87 92 1 1 0 0 0 88 89 1 0 0 0 0 88 91 1 6 0 0 0 89 90 1 0 0 0 0 89 51 1 1 0 0 0 95 91 1 0 0 0 0 96 95 1 0 0 0 0 97 95 2 0 0 0 0 99 98 1 1 0 0 0 98108 1 0 0 0 0 99100 1 0 0 0 0 99104 1 0 0 0 0 100101 1 0 0 0 0 100107 1 1 0 0 0 101102 1 0 0 0 0 101106 1 1 0 0 0 102103 1 0 0 0 0 102105 1 6 0 0 0 103104 1 0 0 0 0 103 92 1 1 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 110112 1 0 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 114115 1 0 0 0 0 114128 1 6 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116125 1 1 0 0 0 116106 1 6 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 6 0 0 0 120121 1 0 0 0 0 120123 1 1 0 0 0 121122 1 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 129 60 1 0 0 0 0 130129 1 0 0 0 0 131130 1 0 0 0 0 132131 1 0 0 0 0 133132 2 0 0 0 0 134133 1 0 0 0 0 135134 1 0 0 0 0 136135 1 0 0 0 0 137136 1 0 0 0 0 138137 1 0 0 0 0 139138 1 0 0 0 0 140139 1 0 0 0 0 141140 1 0 0 0 0 142141 1 0 0 0 0 143142 1 0 0 0 0 144143 1 0 0 0 0 145144 1 0 0 0 0 131146 1 1 0 0 0 130147 1 6 0 0 0 148145 1 0 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 2 0 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 172147 1 0 0 0 0 172173 2 0 0 0 0 M END > BMDB0011958 > bmdb > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C113H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,40,42,63-77,79-105,119-126,132-138,140-149H,8-21,24-39,41,43-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-,42-40+/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1 > TXMPPKHRKYDPIW-NIOXSAECSA-N > C113H193N5O55 > 2501.742 > 2500.245905411 > 55 > 265.9043437637083 > 0 > 34 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0.80 > -1.9035532083333329 > -3.60 > 1 > 8 > -4 > 2.6118510499809493 > 2.1619347183861306 > -3.9476121977780165 > 965.2000000000007 > 587.3686999999999 > 79 > 0 > 6.34e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0011958 > Ganglioside GQ1c (d18:1/24:1(15Z)) $$$$