Accord 08271317192D 129135 0 0 0 0 0 0 0 0999 V2000 23.7058 7.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9629 8.2205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2199 7.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1352 7.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 7.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4489 8.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4982 6.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4982 5.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7553 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3673 8.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5488 8.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0070 6.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2582 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5095 6.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7607 7.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 6.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4709 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7221 7.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9733 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2246 7.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4757 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7271 7.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9783 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2295 7.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2295 7.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4090 6.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 7.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7682 6.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9477 7.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1274 6.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1988 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3855 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5723 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7590 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9458 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1325 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3193 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5060 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6928 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0663 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2530 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4398 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4540 10.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7746 10.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8199 10.5247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8592 10.2730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3627 11.1330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3174 10.8602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8735 11.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9369 10.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1359 10.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8289 10.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2782 11.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3913 11.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1495 10.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1948 10.8366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2341 10.5849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7376 11.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6924 11.1721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2484 11.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3118 10.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5108 10.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7264 12.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6531 11.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7662 11.7762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5179 9.8904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5631 10.1634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6025 9.9117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1059 10.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0607 10.4989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6167 10.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6801 9.7328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8791 10.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5721 10.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0214 10.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1346 11.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5457 9.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8775 9.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1132 9.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8928 10.2023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9380 10.4753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9774 10.2236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4808 11.0836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4356 10.8108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9916 11.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0551 10.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2540 10.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4696 11.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 11.0623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5095 11.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 10.5220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6358 9.9100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2748 8.9850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2872 9.0886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0691 9.7008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6007 9.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 9.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6927 8.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 9.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4303 10.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6237 10.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1435 9.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5307 9.6484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8893 9.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 10.0447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5415 9.1824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7122 8.9459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9393 8.2134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1101 9.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7087 8.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9964 9.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5588 8.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2293 7.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9393 9.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0430 10.0011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0519 9.1388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2227 8.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4498 8.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6206 9.1385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2192 8.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5069 9.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0693 8.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7398 7.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4498 9.3751 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 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 111112 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 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 91110 1 0 0 0 0 120121 1 1 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 120129 1 0 0 0 0 78120 1 0 0 0 0 M END > LMISSP0505BM05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O36 > 1834.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261280 > - > - > Active (generated by computational methods) > - $$$$