Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 22.9460 7.2531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2161 7.6735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4859 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3680 6.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5240 6.5232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6764 7.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7593 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7593 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0294 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6135 8.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8092 8.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2940 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5581 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8224 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0865 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3508 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6149 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8792 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1433 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4075 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6717 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9358 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2001 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7285 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2569 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7853 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 6.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 6.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7498 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0139 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2781 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5423 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8065 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0707 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3349 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5991 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8633 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1275 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3917 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6558 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9201 7.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 7.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6816 9.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0137 9.6704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0750 9.9388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1305 9.6914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6423 10.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5810 10.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1445 10.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1901 9.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4193 9.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1175 10.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5256 10.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6537 10.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4496 9.9771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5109 10.2455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5664 9.9980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0782 10.8435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0169 10.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5804 10.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6260 9.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8553 10.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0672 11.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9615 10.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0896 11.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5534 12.1128 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6148 12.3812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6703 12.1337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1821 12.9792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1208 12.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6843 12.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7298 11.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9591 12.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1711 13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0653 12.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1934 13.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1370 12.4271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3681 11.8255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0132 10.9160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0422 11.0179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8109 11.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3505 11.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7783 11.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4409 10.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5908 11.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1661 12.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 12.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6188 10.5554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8499 9.9537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4950 9.0442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5240 9.1462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2927 9.7480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8323 9.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2601 9.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9227 8.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0726 9.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6479 10.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 10.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 8.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3317 8.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9768 7.1725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0058 7.2744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7746 7.8763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3141 7.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7419 7.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4045 6.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 8.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 8.2841 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 98102 1 0 0 0 0 M END > LMISSP0502AN04 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C76H139NO33 > 1593.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260271 > - > - > Active (generated by computational methods) > - $$$$