Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.4116 7.1944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8274 7.5307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2431 7.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0738 6.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4619 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4619 5.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8777 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1454 8.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5017 8.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2892 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7003 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1115 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5226 6.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9338 6.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6540 7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0651 7.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4762 7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8874 7.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2985 7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7098 7.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1208 7.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5320 7.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9338 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5320 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8867 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2416 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5963 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9511 6.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3059 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2943 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6547 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0151 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3756 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7360 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0964 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4569 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8173 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1777 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5381 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8986 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2590 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9799 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3403 5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.1281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7149 9.3427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9594 9.1448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5689 9.8211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3197 9.6066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9706 9.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8069 9.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3905 9.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1491 9.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0753 9.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3779 10.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6148 9.3733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8640 9.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1085 9.3901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7180 10.0664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4688 9.8519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1197 10.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9560 9.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5396 9.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7092 10.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2244 10.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5270 10.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7588 8.8439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0079 9.0586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2524 8.8607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8619 9.5370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6128 9.3224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2636 9.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1000 8.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6835 9.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4421 9.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3683 9.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 9.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9942 8.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2551 8.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6541 8.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9079 9.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1570 9.3039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4015 9.1059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0110 9.7823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7619 9.5677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4127 9.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2491 8.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8327 9.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0022 10.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5174 9.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 10.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0518 8.5597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3009 8.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5455 8.5765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1549 9.2528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9058 9.0383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5566 9.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3930 8.4358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9766 8.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7352 9.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6614 9.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9639 9.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2873 8.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5482 8.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9472 8.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 8.8050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4500 9.0197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6946 8.8218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3041 9.4981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0549 9.2836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7057 9.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5421 8.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1257 8.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2953 9.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8105 9.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1130 9.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4681 9.0565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8530 8.5752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5691 7.8477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7925 7.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4074 8.4106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0391 8.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 8.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 7.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4314 8.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6914 9.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 8.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2857 10.5360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7487 11.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9977 11.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0058 12.0981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5429 11.5312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3450 11.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6556 10.7647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5857 11.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5211 12.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2939 11.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8348 11.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4807 10.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6101 10.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1879 10.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9869 11.8977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4499 12.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6988 12.6789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7070 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2440 12.8930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0461 13.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3567 12.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2868 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9951 12.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5359 13.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 12.1264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6066 11.5391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9506 11.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1342 11.5246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6376 12.1119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2019 11.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1006 11.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6075 11.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 11.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 11.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8694 10.4092 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1138 10.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5643 9.6568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8839 10.0402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6394 10.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2362 10.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3654 9.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9970 9.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6524 10.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1891 10.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4476 10.6762 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 123122 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 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 117121 1 0 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 135134 1 1 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 136141 1 0 0 0 0 132141 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 143144 1 0 0 0 0 143145 2 0 0 0 0 95132 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 140146 1 0 0 0 0 157158 1 1 0 0 0 158159 1 1 0 0 0 160159 1 1 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 161166 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 157166 1 0 0 0 0 152157 1 0 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 170169 1 1 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 171176 1 0 0 0 0 167176 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 172177 1 0 0 0 0 70167 1 0 0 0 0 M END > LMISSP0505ED07 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C114H200N4O57 > 2537.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261762 > - > - > Active (generated by computational methods) > - $$$$