Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 23.2022 7.7244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4793 8.1405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7563 7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6201 7.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7843 7.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9253 8.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0271 6.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0271 5.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3043 6.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8728 8.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0764 8.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5761 6.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8475 6.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1188 6.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3902 6.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6617 6.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0274 8.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2988 7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5702 8.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8416 7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1129 8.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3845 7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6558 8.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9272 7.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6617 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9272 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3305 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5321 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7338 7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9355 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8704 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0790 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2877 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4963 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7049 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9136 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3309 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5395 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9568 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3741 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5827 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9303 10.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2692 10.1170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3401 10.3826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4054 10.1377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9222 10.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8512 10.7091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4192 10.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4540 9.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7015 10.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4028 10.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7861 10.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9231 11.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7417 10.4205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8126 10.6861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8779 10.4412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3947 11.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3237 11.0126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8917 11.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9265 10.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1740 10.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3838 11.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2586 11.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3956 11.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3603 10.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5993 10.1361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2480 9.2359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2870 9.3368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0478 9.9325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5921 9.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0053 9.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6816 8.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8402 9.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3993 10.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6145 10.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7154 7.9129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7864 8.1785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8516 7.9336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3684 8.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2975 8.5050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8654 8.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9003 7.7595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1477 8.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 8.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2323 8.7498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3694 9.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 7.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0923 7.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3486 7.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3341 8.0206 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9144 7.2939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1027 7.5065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0926 7.2759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7154 8.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1763 7.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5257 7.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6782 7.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0926 6.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 7.7901 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 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 97 98 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 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 96105 1 0 0 0 0 89 96 1 0 0 0 0 M END > LMISSP0505DE05 > > Fucalpha1-3GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O27 > 1484.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261608 > - > - > Active (generated by computational methods) > - $$$$