Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6455 7.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9705 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9301 6.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 6.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2232 5.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 6.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0128 8.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2693 8.5787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8686 6.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1884 6.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5081 6.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8279 6.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1478 6.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 7.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6097 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9295 7.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2493 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5690 7.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8890 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2087 7.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1478 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5284 6.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7831 6.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0378 6.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2925 6.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5471 6.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8019 6.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4090 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6702 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9314 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1926 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4538 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7150 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9762 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2374 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4986 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7598 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0210 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2822 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5434 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 5.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3270 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.7727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5155 10.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6428 9.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1917 10.5733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0590 10.3255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6557 10.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6218 9.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9856 9.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7068 10.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 10.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 10.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0896 10.0560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2222 10.3040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3496 10.0754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8985 10.8566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7658 10.6088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3625 10.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3286 9.9128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6924 10.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8883 11.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6386 10.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8330 11.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7904 9.4444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9230 9.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0504 9.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5993 10.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4666 9.9972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0633 10.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0294 9.3013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3932 9.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1144 9.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3394 10.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5338 10.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9073 9.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2087 8.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5144 9.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4972 9.7278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6298 9.9758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7571 9.7471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3060 10.5284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1734 10.2806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7701 10.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7362 9.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 9.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2959 11.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0462 10.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2405 10.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1980 9.1162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3306 9.3642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4579 9.1356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0068 9.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8742 9.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4709 9.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 8.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8008 9.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 9.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 9.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 10.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3149 8.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9220 8.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 9.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0374 9.6475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1647 9.4189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7136 10.2001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5810 9.9523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1776 10.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1438 9.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 9.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 10.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6481 10.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0412 9.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0494 8.4334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2960 8.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5939 7.5531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7490 8.4331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3844 8.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4627 8.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1567 7.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 7.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 8.6481 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 2 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 112111 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 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 103121 1 0 0 0 0 M END > LMISSP0505AS07 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O37 > 1848.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261122 > - > - > Active (generated by computational methods) > - $$$$