Accord 08271317182D 105109 0 0 0 0 0 0 0 0999 V2000 22.8463 7.2756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1082 7.7006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3698 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2729 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4196 6.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5847 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6464 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6464 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9083 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5100 8.3965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6968 8.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1647 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4206 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6767 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9327 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1887 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4446 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7007 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9567 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2126 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4686 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7247 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9807 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2366 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7487 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0046 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2606 6.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 6.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6255 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1375 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3935 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6495 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9056 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1615 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4175 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6735 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9296 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1855 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4415 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6976 7.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9535 7.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5899 9.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9146 9.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9656 9.9906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0108 9.7404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5173 10.5952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4662 10.3241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0249 10.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0820 9.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2918 9.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9867 10.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4212 10.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5397 10.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3115 10.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3625 10.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4076 10.0504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9141 10.9052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8631 10.6341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4218 10.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4788 9.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6887 10.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9030 11.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8180 10.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9365 11.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7017 9.3601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7527 9.6315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7979 9.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3044 10.2361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2534 9.9649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8121 10.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 9.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0789 9.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7738 9.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2083 10.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3268 10.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7355 8.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0652 8.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 8.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 8.6910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1430 8.9623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1882 8.7122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6947 9.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6437 9.2958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2023 9.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 8.5343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4692 8.9049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6835 10.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5986 9.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 9.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4823 8.0219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5333 8.2932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5785 8.0431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0849 8.8978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0339 8.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5926 8.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 7.8652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 8.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9889 8.8767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 9.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5161 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 7.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0862 7.6569 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 M END > LMISSP0504AJ03 > > GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H131N3O28 > 1485.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260686 > - > - > Active (generated by computational methods) > - $$$$