Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.3403 8.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6860 8.9326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6222 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 9.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3034 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6438 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3247 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0055 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3460 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0267 7.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 7.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 6.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0444 5.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3867 5.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7253 5.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 5.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7485 5.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 5.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7678 5.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3716 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0524 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3928 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0737 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7545 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0950 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7757 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4566 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 10.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 11.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 11.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 10.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 10.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 11.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 10.9985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 11.2392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 11.0173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0788 11.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 11.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 11.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 10.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 11.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 12.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 11.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9857 12.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 10.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1618 10.6457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.4238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8771 11.1820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7188 10.9415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 11.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2650 10.2661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6771 10.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4065 10.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5658 11.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7840 11.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1465 10.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 9.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7652 10.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 9.8116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9601 10.0522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1132 9.8303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6754 10.5885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5171 10.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1257 10.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0633 9.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4755 10.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 11.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 10.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 10.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 9.2181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7584 9.4587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9115 9.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4737 9.9950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3154 9.7545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9240 9.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8616 9.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 9.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 9.7234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 9.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3806 10.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 8.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0355 8.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 8.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3984 8.6246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5567 8.8652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7098 8.6434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2720 9.4015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1137 9.1610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7223 9.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 8.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 8.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2622 9.8947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9607 9.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 9.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1992 8.4856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8190 7.8272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0836 8.0199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1684 7.8109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7327 8.4694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2442 8.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 7.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 7.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1684 7.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 8.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9833 11.4335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3814 12.0691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5395 12.3092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5486 13.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1506 12.5491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9288 12.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 11.6898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0775 12.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 13.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 12.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4778 12.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 11.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 11.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7527 11.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 11.9977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3605 12.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5136 12.0165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0758 12.7747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9175 12.5342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5261 12.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 11.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 12.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 13.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 12.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9827 13.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 11.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0109 11.0986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2798 10.8901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5984 10.2443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7490 11.0983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3951 10.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4120 11.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 10.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 9.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 11.3069 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 16 17 1 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 24 25 2 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 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 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 138145 1 0 0 0 0 156157 1 1 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 151156 1 0 0 0 0 M END > LMISSP0504AZ07 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C108H190N4O51 > 2359.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260818 > - > - > Active (generated by computational methods) > - $$$$