Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6859 7.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0311 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7189 6.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 6.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2764 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2764 5.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6218 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 8.0113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3211 8.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3024 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6426 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9828 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3229 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6631 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0033 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6836 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0237 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3639 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7041 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0442 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3844 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7246 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4049 5.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7451 6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7112 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0513 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3915 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7316 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0719 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4120 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7521 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0923 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4325 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7726 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1128 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4530 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7932 7.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5595 9.4251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7127 9.2032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2750 9.9613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1166 9.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7252 9.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6627 9.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 9.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8044 9.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 9.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1817 10.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2056 9.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3639 9.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5171 9.4782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0794 10.2362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9210 9.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5297 10.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4671 9.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8795 9.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 10.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7679 10.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9862 10.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 8.8659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1626 9.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3158 8.8847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8780 9.6428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7197 9.4023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3283 9.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2658 8.7270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6781 9.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4075 9.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5666 9.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7848 9.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 8.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4397 8.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7660 8.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8028 8.2725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9612 8.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1144 8.2913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6767 9.0494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5183 8.8089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1269 9.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0644 8.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4767 8.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6668 9.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 9.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5835 9.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6015 7.6791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7598 7.9197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9130 7.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4753 8.4559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3170 8.2155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9256 8.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8630 7.5401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2754 7.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0048 8.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1638 8.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3821 8.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7445 7.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 7.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3633 7.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4001 7.0856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5585 7.3263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7117 7.1044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2739 7.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1156 7.6220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7242 7.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6617 6.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 7.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 8.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 7.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 8.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 6.9467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8209 6.2884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0855 6.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1705 6.2721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7347 6.9305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2463 6.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 6.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 6.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 5.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4701 6.7379 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 M END > LMISSP0504AN03 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260718 > - > - > Active (generated by computational methods) > - $$$$