Accord 08271317192D 141148 0 0 0 0 0 0 0 0999 V2000 24.4117 7.1965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8278 7.5327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2436 7.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0741 6.6124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 6.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4623 5.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8784 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1457 8.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5022 8.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2900 6.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7014 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1127 6.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5240 6.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9354 6.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6547 7.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0660 7.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4774 7.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8887 7.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2999 7.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7114 7.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1227 7.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5340 7.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9354 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5340 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8890 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2440 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5990 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9540 6.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3090 6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2961 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6567 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0173 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3780 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7386 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0992 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4599 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8205 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1811 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5418 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9024 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6237 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9843 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3449 5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7056 5.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4659 9.1296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7153 9.3442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9600 9.1463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5697 9.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3203 9.6080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9712 9.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8073 9.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3913 9.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1500 9.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0756 9.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3784 10.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6159 9.3748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8653 9.5894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1100 9.3915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7197 10.0676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4703 9.8532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1212 10.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9573 9.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5413 9.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7109 10.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2256 10.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5284 10.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7607 8.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0101 9.0601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2549 8.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8645 9.5384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6151 9.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2661 9.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1021 8.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6862 9.0147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4448 9.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3704 9.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6732 9.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9965 8.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2573 8.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 8.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9107 9.0907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1601 9.3053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4049 9.1075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0145 9.7836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7651 9.5691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4161 9.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2521 8.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8362 9.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0057 10.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5204 9.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8232 10.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0556 8.5614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3049 8.7761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5497 8.5782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1593 9.2543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9099 9.0398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5609 9.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3970 8.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 8.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7397 9.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6653 9.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 9.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2913 8.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5521 8.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9513 8.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2056 8.8066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4549 9.0213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6997 8.8234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3093 9.4995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0600 9.2850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7109 9.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 8.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 8.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3005 9.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8153 9.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1180 9.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4737 9.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8588 8.5769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5750 7.8496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7985 7.9311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4132 8.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0450 8.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 8.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 7.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 8.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6972 9.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 8.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1361 8.6827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1432 8.0048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4913 7.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8836 7.2430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0179 8.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7023 7.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 7.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 6.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 8.1906 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 117121 1 0 0 0 0 132133 1 1 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 136141 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 132141 1 0 0 0 0 116132 1 0 0 0 0 M END > LMISSP0505AO05 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C94H169N3O42 > 2012.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261088 > - > - > Active (generated by computational methods) > - $$$$