Accord 08271317192D 127133 0 0 0 0 0 0 0 0999 V2000 24.2927 7.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5906 8.0455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8883 7.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8868 6.9392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 8.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1513 6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1513 5.7121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4492 6.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9728 8.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1992 8.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7418 6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0341 6.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3263 6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6185 6.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9109 6.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1802 8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4725 7.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7647 8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0570 7.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3491 8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6416 7.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 8.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2260 7.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9109 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2260 6.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4504 6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6750 6.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8995 6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1240 6.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3485 6.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1422 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3735 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6048 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8361 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0673 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2986 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5299 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7612 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9925 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4551 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6864 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1490 5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3578 9.9655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4554 10.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5474 9.9856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0780 10.7985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9805 10.5407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5608 10.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5660 9.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8636 10.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5735 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8886 10.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0503 11.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 10.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0288 10.5183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1208 10.2804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6515 11.0933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5539 10.8355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1343 11.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1395 10.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4371 10.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6409 11.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4620 11.0733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6238 11.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4985 9.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5961 9.8820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6881 9.6441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2187 10.4570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1212 10.1991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7015 10.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7067 9.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0043 9.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7142 10.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0293 10.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1910 10.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5797 9.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8932 9.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1709 9.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0720 9.9188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1695 10.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2615 9.9389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7922 10.7518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6946 10.4939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2750 10.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 9.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5778 10.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7816 11.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6027 10.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7645 11.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6392 9.2824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7368 9.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8288 9.3026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3594 10.1155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2619 9.8576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8422 10.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8474 9.1335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 9.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8549 9.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 10.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 10.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7204 8.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0339 8.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3116 8.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3609 10.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9533 9.6123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1648 9.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1836 9.5948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7886 10.3008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2649 10.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5470 9.7715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 9.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 9.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 10.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2140 9.7286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2225 8.9135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4386 8.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7081 7.9976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8695 8.9132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4901 8.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6525 9.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 8.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9822 7.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6533 9.1369 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 102108 1 0 0 0 0 118119 1 1 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122127 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 118127 1 0 0 0 0 76118 1 0 0 0 0 M END > LMISSP0505CN04 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O36 > 1806.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261487 > - > - > Active (generated by computational methods) > - $$$$