Accord 08271317182D 121126 0 0 0 0 0 0 0 0999 V2000 24.2750 8.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5558 9.3311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8364 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6908 8.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8593 8.1979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 9.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1058 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1058 6.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3867 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9474 10.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1549 10.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6621 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9371 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2122 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4873 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7624 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0374 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3125 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5876 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8626 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1376 8.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4127 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4221 6.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1478 6.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1571 5.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4342 5.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7073 5.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9844 5.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2573 5.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 5.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8074 5.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0847 5.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3576 5.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6348 5.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9078 5.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1112 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3863 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6613 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9364 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2113 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4865 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7615 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0366 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3117 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5868 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8618 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1368 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4120 9.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6869 8.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3417 11.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4166 11.5641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4858 11.3202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0047 12.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9298 11.8892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4996 12.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5300 11.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7849 11.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4875 11.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8607 12.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0014 12.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8292 11.6018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9041 11.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9733 11.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4921 12.4557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4172 12.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9870 12.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0175 11.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2723 11.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4813 12.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3481 12.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4888 12.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8230 12.7445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8979 13.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9671 12.7652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4859 13.5985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4111 13.3341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9808 13.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0113 12.5918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2662 12.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4751 14.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3420 13.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4827 13.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8811 12.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2025 12.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4620 12.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3041 12.0922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3789 12.3567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4481 12.1129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9670 12.9462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8921 12.6818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4619 12.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4924 11.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7472 12.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9562 13.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8230 12.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9637 13.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7851 11.4399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8600 11.7045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9292 11.4606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4481 12.2939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3732 12.0295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9430 12.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9734 11.2872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2283 11.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 11.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3041 12.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4448 12.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8432 11.0842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1646 10.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4241 11.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4181 11.5472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0003 10.8236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1920 11.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1862 10.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8064 11.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2695 11.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 10.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 10.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1862 10.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 11.3177 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 2 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 31 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 70 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 105112 1 0 0 0 0 M END > LMISSP0503AG08 > > Fucalpha1-3GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O32 > 1714.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260539 > - > - > Active (generated by computational methods) > - $$$$