Accord 08271317192D 127133 0 0 0 0 0 0 0 0999 V2000 24.2789 9.8712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5631 10.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8470 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6928 9.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8650 9.1553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 10.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1152 8.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1152 7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3993 9.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9528 10.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1640 10.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6781 8.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9565 9.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2350 8.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5133 9.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7918 8.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1251 10.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4035 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6820 10.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9604 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2386 10.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5172 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7955 10.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0739 9.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7918 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0739 9.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2832 8.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4927 9.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7019 8.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9113 9.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1207 8.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0081 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2243 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4406 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6568 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8732 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0894 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3056 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5219 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7381 7.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9544 7.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 12.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3454 12.2408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4252 12.5038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4995 12.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0209 13.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9410 12.8272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5132 13.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5380 12.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8023 12.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5065 12.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8668 13.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0122 13.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8518 12.5414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9316 12.8045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0059 12.5619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5273 13.3907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4475 13.1278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0196 13.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0444 12.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3088 12.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5165 13.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3733 13.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5186 13.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 12.8495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7492 12.2597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4013 11.3681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4496 11.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2031 12.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7518 11.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1513 12.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8403 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0070 11.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5511 12.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7739 12.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8835 10.0578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9633 10.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0375 10.0784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5590 10.9071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4792 10.6442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0513 10.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0762 9.9059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 10.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 11.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4050 10.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5504 11.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 9.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2663 9.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5298 9.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3836 9.4090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4634 9.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5377 9.4297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0591 10.2583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9793 9.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5514 10.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 9.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8406 9.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0483 10.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9051 10.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0504 10.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0348 9.7172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2811 9.1274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9331 8.2359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9813 8.3359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7349 8.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2836 8.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 8.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 7.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 8.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 9.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 9.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0726 9.2571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0812 8.4261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2822 8.1983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5373 7.4924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7019 8.4258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3151 8.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5198 8.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1343 7.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 7.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 8.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9544 6.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3315 6.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3315 5.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 5.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 5.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3342 5.3034 0.0000 C 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 2 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 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 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 83 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 97101 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 96112 1 0 0 0 0 41122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 M END > LMISSP0505DL07 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C86H154N2O37 > 1807.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261650 > - > - > Active (generated by computational methods) > - $$$$