Accord 08271317192D 113118 0 0 0 0 0 0 0 0999 V2000 20.7271 7.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9839 8.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2406 7.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1567 7.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2974 7.0508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4705 8.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5190 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5190 5.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7758 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3885 8.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5697 8.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0272 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2781 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5290 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7800 7.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0310 6.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4912 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7422 7.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9931 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2440 7.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4948 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7460 7.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9968 8.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2477 7.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0310 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2477 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4269 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6062 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7854 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9646 7.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1439 6.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4038 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5902 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9630 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1495 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3359 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5223 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7087 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 5.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4756 10.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7960 10.2538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8408 10.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8798 10.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3830 11.1354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3382 10.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8940 11.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9579 10.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1561 10.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8490 10.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2993 11.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4121 11.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1694 10.5658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2142 10.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2532 10.5871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7564 11.4474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7116 11.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2674 11.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3313 10.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5295 10.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7452 12.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6727 11.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7855 11.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 10.8856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9106 10.2734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5494 9.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5614 9.4517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3437 10.0641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8751 9.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 10.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9671 8.8765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1021 9.7716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 10.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8981 10.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9738 7.9877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0186 8.2608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0576 8.0091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5609 8.8694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5160 8.5965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0718 8.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1358 7.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3340 8.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0269 8.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4771 8.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5899 9.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 7.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 7.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5686 7.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4975 8.0985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0661 7.3514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2315 7.5700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 7.3329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8334 8.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2791 7.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6945 7.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 7.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 6.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 7.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0656 11.7457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3825 12.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4271 12.7394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4375 13.7328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1207 13.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8689 13.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2640 12.0365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9029 13.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6434 14.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0760 12.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4920 13.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0415 11.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2061 11.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6691 12.1448 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 90 99 1 0 0 0 0 83 90 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 111112 1 0 0 0 0 111113 2 0 0 0 0 62100 1 0 0 0 0 M END > LMISSP0505DR02 > > Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O32 > 1603.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261693 > - > - > Active (generated by computational methods) > - $$$$