Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.3415 7.4527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6877 7.8290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0338 7.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7194 6.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 6.7989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2786 6.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2786 5.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6249 6.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0436 8.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3233 8.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9663 6.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3073 6.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6483 6.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9893 6.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3304 6.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3745 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7155 7.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0565 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3975 7.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7384 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0796 7.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4205 7.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7615 7.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3304 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7615 6.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0394 6.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3174 6.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 6.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8732 6.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1512 6.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6146 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8989 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1831 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4673 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7516 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0358 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3201 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6043 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8886 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1728 5.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4021 9.6167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5618 9.8570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7163 9.6355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2793 10.3923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1196 10.1523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7288 10.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6648 9.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0797 9.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8095 10.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9651 10.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1846 10.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2116 9.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3713 10.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5258 9.9100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0888 10.6668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9291 10.4267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5383 10.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4743 9.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8892 10.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0790 11.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7747 10.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9941 10.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0153 9.2987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1750 9.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3296 9.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8925 10.0743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7328 9.8343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3421 10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2780 9.1600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6929 9.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4227 9.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5784 10.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7979 10.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1597 8.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4517 8.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 8.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8248 9.5732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9845 9.8135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1391 9.5920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7020 10.3488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5423 10.1087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1516 10.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0875 9.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5024 9.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6922 10.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3879 10.3302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6074 10.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6285 8.9807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7882 9.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9428 8.9995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5057 9.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3461 9.5163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9553 9.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8913 8.8420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 9.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 9.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1916 9.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4111 10.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7730 8.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0649 8.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 8.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 9.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5977 9.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 9.2740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3153 10.0308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1556 9.7907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7648 10.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 9.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 9.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3054 10.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0011 10.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 10.3224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2408 9.1165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8613 8.4592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1271 8.6516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2135 8.4429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7769 9.1003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2892 8.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4141 8.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7432 8.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 7.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 8.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0095 11.1924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4085 11.8269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5680 12.0666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5771 12.9406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1782 12.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9567 12.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3043 11.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1069 12.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0347 12.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0187 12.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5048 12.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1085 11.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2533 11.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7809 11.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 12.7163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8358 13.3508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9953 13.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0044 14.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6055 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3840 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7316 12.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 14.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4459 13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9321 14.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7983 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9580 14.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1125 14.1723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6755 14.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5158 14.6891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1250 14.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0610 14.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4759 14.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 15.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3613 14.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5808 15.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9427 13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5621 13.8304 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 116117 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 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 89125 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 133139 1 0 0 0 0 150151 1 1 0 0 0 152151 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 150159 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 161162 1 0 0 0 0 161163 2 0 0 0 0 146150 1 0 0 0 0 M END > LMISSP0505EG02 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C104H183N5O52 > 2334.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261781 > - > - > Active (generated by computational methods) > - $$$$