Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4093 6.8019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8226 7.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2358 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0701 6.2152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8690 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 7.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4956 7.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2780 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6867 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0953 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5040 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3214 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7300 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1387 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5474 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9561 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3648 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1821 5.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5908 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4616 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8702 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2789 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6876 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0963 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5050 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9136 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3223 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7310 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5484 7.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9571 6.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 8.7434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7095 8.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9508 8.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5587 9.4394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3127 9.2239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9621 9.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8019 8.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3796 8.9133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1372 9.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0714 9.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 9.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6006 8.9897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8466 9.2053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0880 9.0065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6959 9.6857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4499 9.4702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0992 9.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9391 8.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5167 9.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6870 10.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2086 9.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5082 9.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7326 8.4580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9786 8.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2200 8.4749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8278 9.1540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5818 8.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2312 9.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0710 8.3336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6487 8.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4063 8.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3405 9.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6402 9.4157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9649 8.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2269 7.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6233 8.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8646 7.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1105 8.1420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3519 7.9432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9598 8.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7138 8.4069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3631 8.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2030 7.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7807 8.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9509 9.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4725 8.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7721 8.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 7.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2425 7.6103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4839 7.4116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 8.0907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8457 7.8753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4951 8.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 7.2703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 7.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6702 7.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 8.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9041 8.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 7.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 6.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8873 7.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1285 6.8631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3745 7.0787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6158 6.8799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2237 7.5591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9777 7.3437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6271 7.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4669 6.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 7.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 8.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7364 7.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 7.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 7.1156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7666 6.6323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4815 5.9018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7016 5.9836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3191 6.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9492 6.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0961 6.5072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 5.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 6.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6043 7.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9673 6.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1676 6.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 6.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 6.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 9.3793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6964 9.9486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9422 10.1637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9504 10.9480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4897 10.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2909 10.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6029 9.6089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5284 10.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4636 10.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2439 10.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 10.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4272 9.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5571 9.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1332 9.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7443 9.8848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9903 10.1004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2316 9.9016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8395 10.5807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5935 10.3653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2429 10.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0827 9.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 10.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8307 11.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3522 10.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6519 10.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 10.1372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2413 9.9390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6895 9.3818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0062 9.7667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7649 9.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3601 9.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4940 9.6933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 9.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 10.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3169 10.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5723 10.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4869 9.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8079 9.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1929 9.3230 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 1 0 0 0 0 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 87127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 134141 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 163164 1 0 0 0 0 163165 2 0 0 0 0 148152 1 0 0 0 0 M END > LMSP0504BK01 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C104H182N6O53 > 2363.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260892 > - > - > Active (generated by computational methods) > - $$$$