Accord 08271317192D 185195 0 0 0 0 0 0 0 0999 V2000 24.4150 7.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8343 7.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2534 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7508 6.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 6.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 5.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8902 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1504 8.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5105 8.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3051 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7197 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1343 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5490 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9637 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6678 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0824 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4970 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9116 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3261 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7409 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1554 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5700 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9637 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5700 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9286 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2872 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6458 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0044 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3630 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3278 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6920 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0562 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4204 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7846 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1488 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5130 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8772 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2414 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9698 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3340 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6982 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7908 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5192 5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4689 9.1005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7224 9.3139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9714 9.1171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5832 9.7895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3296 9.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9825 9.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8139 8.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4059 9.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1659 9.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0807 9.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3874 10.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6348 9.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8883 9.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1373 9.3610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7491 10.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4955 9.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1484 10.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9798 9.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5718 9.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7403 10.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2466 10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5533 10.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 8.8180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0490 9.0314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2980 8.8346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9098 9.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6563 9.2937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3091 9.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1406 8.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7325 8.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4925 9.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4074 9.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7140 9.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0355 8.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2948 8.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6974 8.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9614 9.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2149 9.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4639 9.0785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0757 9.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8221 9.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4750 9.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3064 8.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8984 9.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0670 10.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5732 9.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8799 10.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1221 8.5355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3757 8.7489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6246 8.5522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2364 9.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9829 9.0112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6358 9.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4672 8.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0591 8.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8191 8.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7340 9.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 9.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3621 8.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6215 8.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0240 8.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 8.7793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5415 8.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7905 8.7960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4023 9.4683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1488 9.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8016 9.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 8.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 8.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 9.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8999 9.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2065 9.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2245 8.6561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8874 8.0723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2352 8.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4236 8.0578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9241 8.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4909 8.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 8.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 7.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 7.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5763 8.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5713 9.0293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8202 8.8330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2739 8.2814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5975 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3486 8.8588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9478 8.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 8.5898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 8.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 9.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 9.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 8.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3811 8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 8.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 10.5001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8149 11.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0683 11.2767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0764 12.0531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6103 11.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4136 11.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7224 10.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6587 11.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5946 12.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3569 11.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9005 11.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 10.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 10.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2574 10.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0634 11.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5296 12.4175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7830 12.6304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7911 13.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3250 12.8432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1282 13.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4370 12.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 13.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 13.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 12.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6152 13.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7197 13.1305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9732 13.3440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2222 13.1472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8340 13.8195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5804 13.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2333 13.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0648 13.0073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6567 13.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 14.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3315 13.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6382 14.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9597 12.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2190 12.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6215 12.8435 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 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 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0 174179 1 0 0 0 0 175180 1 0 0 0 0 177182 1 0 0 0 0 178183 1 0 0 0 0 183184 1 0 0 0 0 183185 2 0 0 0 0 168172 1 0 0 0 0 M END > LMISSP0505DY08 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C120H210N6O57 > 2647.37 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261723 > - > - > Active (generated by computational methods) > - $$$$