Accord 08271317182D 136143 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 7.3920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0305 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7191 6.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 6.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6210 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9613 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3011 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6410 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9809 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3208 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6607 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0005 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3404 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6803 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3601 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6999 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3797 6.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7100 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0499 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3897 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7296 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4094 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7493 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0891 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4290 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7689 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1088 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4487 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7886 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2746 9.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 9.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0787 10.2342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 9.9937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5290 10.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 9.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 10.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7674 10.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 8.8638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1617 9.1044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3148 8.8826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8770 9.6407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7187 9.4002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3273 9.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 8.7248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6770 9.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4064 9.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5657 9.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 9.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 8.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 8.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 8.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8017 8.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9599 8.5109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1130 8.2891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6752 9.0472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 8.8067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1256 9.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 8.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 8.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 9.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 9.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5821 9.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5999 7.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 7.9174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 7.6956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4735 8.4537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3152 8.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9238 8.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 7.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 7.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 8.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 8.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 8.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 7.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0354 7.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 7.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 7.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5564 7.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7095 7.1021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2718 7.8602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1135 7.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7221 7.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 6.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0718 7.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 8.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 7.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1787 8.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1989 6.9443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8187 6.2859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 6.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1682 6.2696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7325 6.9281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2440 6.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 6.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 6.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 5.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 6.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 9.8922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3812 10.5278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5393 10.7679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5484 11.6434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1505 11.0079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9286 11.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2768 10.1485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 11.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 11.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 11.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0807 10.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2258 9.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 10.2439 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 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 95102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 87123 1 0 0 0 0 M END > LMISSP0504AX01 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C88H156N4O42 > 1941.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260796 > - > - > Active (generated by computational methods) > - $$$$