Accord 08271317182D 134141 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6853 7.3935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0300 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7190 6.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9616 6.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2754 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2754 5.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6204 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0419 8.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3202 8.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9605 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3002 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6399 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9796 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3193 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6590 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9988 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3385 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6782 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0179 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3576 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6973 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3767 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7164 5.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0561 6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3694 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7092 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0489 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3886 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7283 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0680 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4077 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7474 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0871 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4268 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7665 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4461 7.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7858 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7118 9.2031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0739 9.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3622 9.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5151 9.4781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0772 10.2365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9192 9.9959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5276 10.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4654 9.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8772 9.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0673 10.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7664 10.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 10.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0016 8.8657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1597 9.1064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3125 8.8845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8747 9.6428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7166 9.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3251 9.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2629 8.7267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6746 9.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4040 9.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5638 9.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7818 9.9350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1444 8.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4369 8.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7630 8.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7991 8.2720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9571 8.5127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1100 8.2908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6721 9.0492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5141 8.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1225 9.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0603 8.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 8.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6622 9.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3613 9.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 9.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5965 7.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7545 7.9191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9074 7.6971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4695 8.4555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3115 8.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9200 8.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8578 7.5394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 7.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9988 8.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1587 8.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 8.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7392 7.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0318 7.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3579 7.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 7.9534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5578 8.1941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7107 7.9722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2728 8.7305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1148 8.4900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7232 8.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 7.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0728 8.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2629 9.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 8.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 9.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2002 7.8144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8199 7.1558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0843 7.3486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1689 7.1395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7333 7.7982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2448 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 7.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 6.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 6.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 7.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9431 9.8319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2805 9.4587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7455 9.9990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8512 10.2850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6723 10.5647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1851 10.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8330 9.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2186 9.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 9.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2074 10.0244 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 3 28 2 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 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 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 90 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 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 73125 1 0 0 0 0 M END > LMISSP0504AT02 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260765 > - > - > Active (generated by computational methods) > - $$$$