Accord 08271317192D 126132 0 0 0 0 0 0 0 0999 V2000 24.2856 7.6668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5764 8.0751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8671 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8756 6.9576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1327 6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1327 5.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4235 6.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9625 8.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 8.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7090 6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9941 6.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2793 6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5644 6.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8496 6.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1519 8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4370 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7221 8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0072 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2923 8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5776 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8626 8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1478 7.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8496 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1478 6.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3644 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5812 6.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7979 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0145 6.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2313 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0732 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2967 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5203 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7438 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9674 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4145 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6381 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8616 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0852 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 5.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3514 10.0143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4398 10.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5227 10.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0486 10.8557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9602 10.5953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5363 10.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5516 9.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8321 10.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5390 10.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8774 10.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0307 11.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8904 10.3121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9788 10.5727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0617 10.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5876 11.1535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4991 10.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0752 11.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0906 10.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3710 10.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5769 11.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4164 11.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5697 11.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4231 9.6694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5115 9.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5944 9.6897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1203 10.5108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0318 10.2503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6079 10.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6233 9.5189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9037 9.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6107 10.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9491 10.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1024 10.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4949 9.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8117 9.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0820 9.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9620 9.9671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0505 10.2278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1333 9.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6593 10.8085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5708 10.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1469 10.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1623 9.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4427 10.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6486 11.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 10.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6414 11.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 10.2724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8977 9.6881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5531 8.8049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6102 8.9039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3567 9.4884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9095 9.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2961 9.5368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9973 8.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2768 9.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7015 10.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9315 9.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 9.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7522 9.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1398 8.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0494 7.5068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1378 7.7674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2207 7.5271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7466 8.3482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6581 8.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2342 8.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 7.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 7.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 8.8822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 8.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 8.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6633 9.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6719 8.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8802 8.7676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1423 8.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3053 8.9931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9221 8.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1063 9.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7337 8.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4192 7.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0970 9.2190 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 87117 1 0 0 0 0 M END > LMISSP0505AH03 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261030 > - > - > Active (generated by computational methods) > - $$$$