Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6201 7.9807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9325 7.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9101 6.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1900 5.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5026 6.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9944 8.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2369 8.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8100 6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1171 6.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4241 6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7312 6.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0384 6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2393 7.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5463 7.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8534 7.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1605 7.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4674 7.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7747 7.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0817 7.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3887 7.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0384 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3887 6.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6294 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8702 6.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1109 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3516 6.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5925 6.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2857 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5331 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7805 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0279 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2753 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5227 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7700 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0174 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2648 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5122 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7596 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0070 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2543 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7491 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9965 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4913 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3713 9.8605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4877 10.1131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5987 9.8802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1392 10.6761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0227 10.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6119 10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5960 9.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9293 10.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6452 10.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0911 10.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0165 10.1491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1329 10.4018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2439 10.1689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7844 10.9647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6679 10.7123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2571 10.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2412 10.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5745 10.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7740 11.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5570 10.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7363 11.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6556 9.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7720 9.7788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8830 9.5458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4235 10.3417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3070 10.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8962 10.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8803 9.3803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2136 9.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9295 10.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1961 10.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3754 10.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7559 9.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0629 8.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3557 9.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3008 9.8147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4172 10.0674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5282 9.8345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0686 10.6303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9522 10.3779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5413 10.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5255 9.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8588 10.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0583 11.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8413 10.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 10.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0850 10.1106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3612 9.5443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0271 8.6882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1131 8.7841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8367 9.3507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4033 9.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 9.3977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4884 8.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 9.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 10.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 9.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8311 9.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1894 9.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5958 8.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 7.4299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6859 7.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7969 7.4496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3374 8.2455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2210 7.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8101 8.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 7.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 7.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3271 8.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 8.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2894 8.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3107 7.2840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9116 6.5929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1396 6.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1789 6.5758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7713 7.2670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2585 7.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4929 6.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7359 6.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 6.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5433 7.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0419 9.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0502 8.8709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2828 8.6520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5675 7.9742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7256 8.8706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3541 8.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4713 9.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1408 8.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8359 7.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4930 9.0896 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 69 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 81 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 114113 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 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 105112 1 0 0 0 0 123124 1 1 0 0 0 124125 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 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 93133 1 0 0 0 0 M END > LMISSP0505AI06 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C96H173N3O41 > 2024.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261041 > - > - > Active (generated by computational methods) > - $$$$