Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.4151 7.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8344 7.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2536 7.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7508 6.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0794 6.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4711 6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4711 5.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8904 6.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1505 8.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5107 8.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3054 6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7201 6.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1347 6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5494 6.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9642 6.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6680 7.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0827 7.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4973 7.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9120 7.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3266 7.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7414 7.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1560 7.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5707 7.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9642 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5707 6.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9293 6.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2880 6.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6466 6.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0053 6.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 6.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3284 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0569 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4212 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7854 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1497 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5140 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8782 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2425 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6067 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6995 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4280 5.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7923 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4689 9.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7226 9.3144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9716 9.1176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5834 9.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3298 9.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9827 9.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8141 8.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4061 9.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1662 9.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0808 9.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3876 10.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6351 9.3447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8887 9.5582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1378 9.3614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7496 10.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4960 9.8204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1489 10.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9802 9.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5723 9.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7409 10.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2470 10.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5537 10.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7961 8.8185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0497 9.0319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2988 8.8352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9106 9.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6570 9.2942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3099 9.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1413 8.6953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7333 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4934 9.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4080 9.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7148 9.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0362 8.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2955 8.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6981 8.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9623 9.0623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2159 9.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4650 9.0790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0768 9.7512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8232 9.5380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4761 9.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3074 8.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8995 9.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 10.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5742 9.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8809 10.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1233 8.5360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3769 8.7494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6260 8.5527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2378 9.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9842 9.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6371 9.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4684 8.4128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0605 8.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8205 8.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7352 9.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0419 9.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3634 8.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6227 8.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0253 8.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2895 8.7798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5431 8.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7922 8.7965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4040 9.4688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1503 9.2555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8033 9.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6346 8.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 8.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 9.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9014 9.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2081 9.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2261 8.6566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8890 8.0729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2369 8.2437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4254 8.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9258 8.6423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4926 8.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3800 8.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 7.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 7.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5779 8.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5730 9.0298 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8220 8.8335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2757 8.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5994 8.6630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3504 8.8593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9497 8.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0721 8.5904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 8.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 8.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 9.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 9.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 8.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 8.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 8.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3498 10.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8161 11.0640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0695 11.2770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0776 12.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6115 11.4897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4147 11.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7235 10.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6600 11.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5958 12.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3580 11.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9016 11.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5496 10.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 10.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2586 10.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 11.8540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5310 12.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7844 12.6306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7925 13.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3264 12.8433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1296 13.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4384 12.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 13.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0076 13.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0729 12.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6165 13.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0299 12.0813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6928 11.4976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0407 11.6684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2292 11.4831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7295 12.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2964 11.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1838 11.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 11.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 11.0377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3817 11.8962 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 2 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 79 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 104110 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 117131 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 151156 1 0 0 0 0 156157 1 0 0 0 0 156158 2 0 0 0 0 95145 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 153159 1 0 0 0 0 170171 1 1 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 170179 1 0 0 0 0 165170 1 0 0 0 0 M END > LMISSP0505DX07 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C116H203N5O56 > 2562.32 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261714 > - > - > Active (generated by computational methods) > - $$$$