Accord 08271317192D 159168 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9809 7.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4731 6.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6632 6.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6632 5.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1556 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6979 7.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6441 6.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1323 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6206 6.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1088 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5971 6.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9611 7.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4494 6.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9376 7.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4258 6.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9140 7.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4024 6.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8906 7.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3788 6.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5971 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3788 6.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8180 6.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2573 6.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6966 6.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1358 6.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5751 6.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0413 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4855 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9296 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3738 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8179 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2621 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7063 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1504 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5946 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0388 5.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8831 8.7743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2266 8.6023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8872 9.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5397 9.0036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2363 9.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 8.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7322 8.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5224 8.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5902 9.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0580 8.8009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4055 8.9875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7489 8.8154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4095 9.4032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0621 9.2168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7586 9.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4855 8.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2545 8.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4019 9.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7187 9.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1126 9.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5759 8.3408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9233 8.5273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2668 8.3553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9274 8.9431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5799 8.7566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2765 8.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0033 8.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7724 8.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5626 8.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2366 8.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6304 9.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9115 8.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1382 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6159 8.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0982 8.5539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4457 8.7405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7891 8.5685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4497 9.1563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1023 8.9698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7988 9.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5257 8.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2947 8.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4421 9.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7589 9.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1528 9.3827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6161 8.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9635 8.2804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3070 8.1084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9676 8.6961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6202 8.5097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3167 8.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0436 7.9861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8126 8.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6028 8.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2768 8.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6707 8.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 7.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1784 7.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6561 7.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1385 8.3070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4859 8.4936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8293 8.3215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4900 8.9093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1425 8.7229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8391 8.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5659 8.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3349 8.4541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4823 9.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 8.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 9.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6563 7.8469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0038 8.0334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3472 7.8614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0078 8.4492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6604 8.2628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3569 8.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 7.7391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8528 7.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6430 8.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 8.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7109 8.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 7.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2186 7.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6963 7.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1787 8.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5261 8.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8696 8.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5302 8.6624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1827 8.4759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8793 8.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6061 7.9523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3752 8.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 9.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 8.6479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2332 8.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2813 7.9225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2875 7.3332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7207 7.1715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1924 6.6709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3092 7.3330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0349 7.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5984 7.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 6.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3907 6.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 7.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2009 8.4164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2070 7.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6403 7.6654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1120 7.1648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2287 7.8269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9544 7.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5180 8.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5354 7.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3102 6.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7955 7.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 140141 1 1 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 140149 1 0 0 0 0 122140 1 0 0 0 0 150151 1 1 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 154159 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 150159 1 0 0 0 0 72150 1 0 0 0 0 M END > LMISSP0505CH02 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C102H180N4O51 > 2277.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261445 > - > - > Active (generated by computational methods) > - $$$$