Accord 08271317192D 147155 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 5.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1556 6.3926 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 6.3926 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 6.3926 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 22.4493 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 6.4046 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 6.4046 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 6.4046 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 19.4854 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 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 8.9794 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 8.9874 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 8.9479 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 9.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5759 8.3407 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 9.1562 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 9.1417 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 13.6201 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 14.0435 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 8.4855 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 13.6706 8.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 7.8428 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 7.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1384 8.3070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4859 8.4935 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 10.4899 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 10.8390 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 8.4540 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 9.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6563 7.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0037 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 8.6603 8.2627 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 9.0837 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 7.1786 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 5.8695 8.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5301 8.6623 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 5.8792 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 5.3751 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 6.8393 8.6478 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 7.2874 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 6.3091 7.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0348 7.0528 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 6.3906 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 138147 1 0 0 0 0 120138 1 0 0 0 0 M END > LMSP0505BD01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H166N4O47 > 2103.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261204 > - > - > Active (generated by computational methods) > - $$$$