Accord 08271317192D 104108 0 0 0 0 0 0 0 0999 V2000 21.5818 7.7188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8606 8.1339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1393 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9988 6.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1649 6.9975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3033 8.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4094 6.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4094 5.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2532 8.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4586 8.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9617 6.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2347 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5077 6.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7808 6.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0539 6.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4120 8.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6850 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9581 8.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2311 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 8.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7773 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0503 8.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3233 7.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0539 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3233 7.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5267 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 7.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9337 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1371 7.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3407 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2644 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4748 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6852 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8957 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1061 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3165 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5270 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9478 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1583 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5791 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3083 10.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6487 10.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7217 10.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7891 10.1267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3070 10.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2339 10.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8029 10.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8354 9.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0868 10.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7887 10.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1667 10.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3057 11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1292 10.4088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2022 10.6738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2696 10.4295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7875 11.2644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7144 10.9995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2834 11.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3159 10.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5673 10.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7766 11.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6472 11.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7862 11.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7555 10.7192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9961 10.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6457 9.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6868 9.3276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4460 9.9219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9913 9.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4012 9.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0806 8.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2411 9.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7967 10.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0136 10.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 7.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1896 8.1719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2569 7.9275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7748 8.7624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7018 8.4976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2707 8.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 7.7538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5546 8.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 9.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6346 8.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7735 9.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1727 7.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4948 7.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7528 7.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5906 7.2532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6637 7.5183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7310 7.2739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2489 8.1089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1759 7.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7448 8.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7773 7.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 7.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2381 8.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 8.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 8.4305 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 87 94 1 0 0 0 0 M END > LMISSP0505DB04 > > Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261583 > - > - > Active (generated by computational methods) > - $$$$