Accord 08271317192D 138145 0 0 0 0 0 0 0 0999 V2000 24.3205 7.5383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6459 7.9266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9711 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9304 6.8636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2238 5.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5492 6.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 8.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2698 8.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8695 6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1895 6.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5095 6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8295 6.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1496 6.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2908 7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6108 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9308 7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2507 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5706 7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8908 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2107 7.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5307 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1496 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5307 6.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 6.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0405 6.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2954 6.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5503 6.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8053 6.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4110 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6724 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9338 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1953 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7181 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9795 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5024 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7638 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0252 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2867 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5481 5.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8095 5.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5159 10.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6435 9.7906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1925 10.5716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0596 10.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6564 10.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6222 9.6281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9866 9.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7078 10.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9321 10.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1267 10.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0908 10.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2237 10.3024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3513 10.0739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9003 10.8549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7674 10.6071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3642 10.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3300 9.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6943 10.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8902 11.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6399 10.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8345 11.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7926 9.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9255 9.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0531 9.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6021 10.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4692 9.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0660 10.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0318 9.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3961 9.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1173 9.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3417 10.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5363 10.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9097 9.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2110 8.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5170 9.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5004 9.7264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6333 9.9743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7609 9.7457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3099 10.5267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1770 10.2790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7738 10.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7396 9.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1039 9.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2997 11.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0495 10.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2441 10.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2022 9.1150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3351 9.3629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4626 9.1343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0117 9.9154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8788 9.6676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4756 9.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4414 8.9718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 9.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5269 9.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7513 9.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9459 10.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3193 8.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6206 8.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9265 8.7815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 8.5036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0369 8.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1644 8.5230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7135 9.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5806 9.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1774 9.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 8.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 8.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 9.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 9.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 9.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0523 10.1101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3699 9.7257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8189 10.2822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8979 10.5768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7436 10.8647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2418 11.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 9.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2763 10.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 10.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2947 10.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6368 9.5436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6449 8.7605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8918 8.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1899 7.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3450 8.7603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9805 8.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0581 9.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7525 8.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4533 7.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0981 8.9752 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 102119 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 76129 1 0 0 0 0 M END > LMISSP0505CJ04 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C92H165N3O41 > 1968.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261463 > - > - > Active (generated by computational methods) > - $$$$