Accord 08271317192D 129135 0 0 0 0 0 0 0 0999 V2000 24.2928 7.6418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5906 8.0459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8883 7.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8868 6.9396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 8.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1513 6.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1513 5.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4492 6.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9729 8.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1992 8.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7419 6.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0341 6.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3264 6.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6186 6.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9110 6.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1803 8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4726 7.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7648 8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0571 7.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3492 8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6417 7.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9339 8.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 7.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9110 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2261 6.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4506 6.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6752 6.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8997 6.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1242 6.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3488 6.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1423 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3736 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6049 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8362 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0675 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2988 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5301 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7614 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9927 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2240 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4554 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6867 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1493 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3806 5.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6119 5.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3579 9.9659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4554 10.2239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5474 9.9860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0780 10.7989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9805 10.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5608 10.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5660 9.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8637 10.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5735 10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8886 10.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0504 11.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9314 10.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0289 10.5187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1209 10.2808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6516 11.0937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5540 10.8358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1344 11.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1396 10.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4372 10.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6410 11.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4621 11.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6239 11.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4987 9.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5962 9.8824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6882 9.6445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2189 10.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1213 10.1995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7017 10.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7069 9.4754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0045 9.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7143 10.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0294 10.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1912 10.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5798 9.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8934 9.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1710 9.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0722 9.9191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1697 10.1772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2618 9.9393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7924 10.7521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6949 10.4943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2752 10.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2804 9.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 10.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7818 11.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6029 10.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7647 11.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6395 9.2828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7370 9.5409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8290 9.3030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3597 10.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2621 9.8580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8425 10.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8477 9.1338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 9.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 9.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 10.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3320 10.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 8.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 8.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3118 8.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 10.3185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9536 9.6127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1651 9.8193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1839 9.5952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7889 10.3012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2653 10.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5473 9.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 9.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 9.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 10.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2142 9.7290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2227 8.9139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4388 8.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7083 7.9980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8697 8.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4904 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6527 9.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2938 8.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9824 7.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6535 9.1373 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 104110 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 > LMSP0505CN05 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-4(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] > - > > - > - > - > - > - > - > - > - > - > 44261488 > - > - > Active (generated by computational methods) > - $$$$