Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 23.2248 7.7275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5011 8.1441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7772 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6432 7.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8064 7.0037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9488 8.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0482 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0482 5.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3245 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8951 8.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0976 8.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5954 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8659 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1364 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4069 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6775 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0474 8.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3178 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5883 8.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8588 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1292 8.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3999 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6703 8.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9408 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6775 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9408 7.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1414 6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3421 7.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5428 6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7434 7.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8851 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0928 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3005 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5081 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7158 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9234 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1311 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3387 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5464 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7541 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9617 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1694 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9538 10.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2919 10.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3617 10.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4258 10.1438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9420 10.9817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8722 10.7159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4396 10.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4757 9.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7210 10.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4219 10.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8082 10.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9442 11.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7600 10.4269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8298 10.6929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8939 10.4477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4101 11.2855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3403 11.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9077 11.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9438 10.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1891 10.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3992 11.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2763 11.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4123 11.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2217 9.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2915 10.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3556 9.7918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8718 10.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8020 10.3639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3694 10.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4055 9.6174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6508 9.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3517 10.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7380 10.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8740 10.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2746 9.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5978 9.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8532 9.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6898 10.0749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7596 10.3409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8237 10.0956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3399 10.9335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2701 10.6677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8375 10.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 9.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1189 10.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3290 11.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2061 10.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3421 11.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8362 9.8788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8449 9.0387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0370 8.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2840 8.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4503 9.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0593 8.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2882 9.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 8.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5665 7.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2583 9.2690 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 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 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 78 96 1 0 0 0 0 M END > LMISSP0505AB05 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O27 > 1484.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260984 > - > - > Active (generated by computational methods) > - $$$$