Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.3207 7.5403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6463 7.9285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9717 7.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7106 6.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9308 6.8658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 5.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5499 6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0134 8.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2703 8.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8705 6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1907 6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5109 6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8311 6.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1514 6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2916 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6118 7.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9321 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2523 7.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5724 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8928 7.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2129 7.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5331 7.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1514 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5331 6.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7882 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0434 6.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2985 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 6.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8088 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4131 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6748 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9364 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1981 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4597 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7214 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9830 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2447 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5064 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0297 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2913 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8147 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0763 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5996 5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8613 5.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 9.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5164 10.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6443 9.7919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1934 10.5727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0603 10.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6572 10.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6227 9.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9875 9.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7088 10.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9325 10.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1273 10.8735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0920 10.0557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2252 10.3036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3531 10.0751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9023 10.8559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7691 10.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3660 10.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3315 9.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6963 10.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8921 11.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6413 10.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8362 11.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7949 9.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9281 9.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0559 9.4639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6051 10.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4719 9.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0688 10.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0343 9.3015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3992 9.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1205 9.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3442 10.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5390 10.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9123 9.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2135 8.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5197 9.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5037 9.7277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6369 9.9756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7648 9.7471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3139 10.5278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1807 10.2802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7777 10.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7432 9.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1080 9.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 11.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0530 10.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2478 10.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2066 9.1165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3397 9.3644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4676 9.1359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0168 9.9166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8836 9.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4805 9.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 8.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 9.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5322 9.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7558 9.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 10.2174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3240 8.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6252 8.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 8.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9094 8.5053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0426 8.7532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1704 8.5247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7196 9.3054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5864 9.0578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1834 9.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 8.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 8.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7095 9.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 9.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 9.6062 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 M END > LMISSP0505BG06 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261233 > - > - > Active (generated by computational methods) > - $$$$