Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 22.4497 7.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7151 8.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9802 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8744 7.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0250 7.0302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1846 8.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2554 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2554 5.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5208 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1150 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3055 8.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7807 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0401 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2996 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 7.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8187 6.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2394 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4989 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7584 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0178 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2772 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5369 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 8.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0558 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8187 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0558 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2443 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4330 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6216 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8102 7.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9988 6.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0144 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2101 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6015 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7972 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9929 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1886 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3843 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9714 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1671 5.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1897 10.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5178 10.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5736 10.4666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6235 10.2177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1324 11.0682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0767 10.7984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6376 11.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6893 10.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9081 10.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6045 10.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0268 11.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1498 11.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9326 10.5050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9884 10.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0383 10.5261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5472 11.3766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4915 11.1068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0524 11.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1042 10.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3229 10.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5362 11.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4416 11.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5646 11.7043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3410 9.8393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3967 10.1093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4467 9.8603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9556 10.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8998 10.4411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4607 10.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5125 9.6834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 10.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4277 10.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 10.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9729 11.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3795 9.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7076 9.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9518 9.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7558 10.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8115 10.4177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8615 10.1688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3704 11.0193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3146 10.7495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8755 11.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 9.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1461 10.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3593 11.5725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2648 10.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3877 11.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 9.4819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2198 9.7519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2698 9.5030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7787 10.3535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7230 10.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2839 10.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 9.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 10.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 10.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 10.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 9.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 8.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 9.1188 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 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 75 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 > LMISSP0505BN03 > > GalNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C72H131N3O28 > 1485.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261286 > - > - > Active (generated by computational methods) > - $$$$