Accord 08271317192D 171181 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 7.1995 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 6.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3995 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 6.0994 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 6.0994 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 6.0994 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 6.0994 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 18.2574 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 17.8180 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 16.1505 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 14.4830 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 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 9.1901 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 8.6932 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 8.5274 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 18.5800 8.7567 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 18.6305 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 17.0983 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 15.4498 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 15.7989 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 13.9636 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 8.6962 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 8.6817 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 10.8294 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 8.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3350 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 11.7992 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 8.0335 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 9.2187 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 6.1828 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 5.5226 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 6.2333 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 6.1925 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 6.6159 6.7631 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 6.8760 7.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2411 8.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2473 7.5801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6805 7.4185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1522 6.9179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2690 7.5799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9947 7.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5582 7.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5756 7.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3505 6.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8357 7.7416 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 17.2071 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 16.2288 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 7.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3103 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 125131 1 0 0 0 0 142143 1 1 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 142151 1 0 0 0 0 124142 1 0 0 0 0 152153 1 1 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 152161 1 0 0 0 0 99152 1 0 0 0 0 162163 1 1 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 162171 1 0 0 0 0 74162 1 0 0 0 0 M END > LMISSP0505BB03 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C110H194N4O55 > 2451.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261190 > - > - > Active (generated by computational methods) > - $$$$