Accord 08271317192D 153161 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.2001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1326 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6209 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1092 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9613 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4496 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4262 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9144 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4029 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8911 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3794 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3794 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8187 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2580 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1366 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5760 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0418 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4860 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9302 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3745 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8187 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2629 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7071 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1514 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0398 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9283 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3725 5.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8167 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8874 9.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7324 8.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5226 8.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0583 8.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4058 8.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7494 8.8160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4100 9.4037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0625 9.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7591 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4858 8.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2550 8.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4024 9.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7191 9.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1130 9.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5764 8.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9240 8.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2675 8.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9281 8.9436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5806 8.7572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2772 8.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0040 8.2336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7731 8.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5633 8.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2372 8.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6311 9.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 8.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1388 7.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6165 8.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0991 8.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4466 8.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7901 8.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4507 9.1567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1032 8.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7998 9.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5266 8.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2957 8.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4431 9.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7598 9.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1537 9.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6172 8.0944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9647 8.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3082 8.1090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9688 8.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6213 8.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3179 8.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0447 7.9867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8138 8.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 8.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2779 8.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6718 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 7.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1795 7.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6573 7.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1398 8.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4873 8.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8308 8.3221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4915 8.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1439 8.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8405 8.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 8.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3365 8.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4838 9.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8005 8.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1944 9.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6579 7.8475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0054 8.0341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3489 7.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0096 8.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6621 8.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3586 8.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0854 7.7398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 7.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6448 8.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 8.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7126 8.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9936 7.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2203 7.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 7.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 8.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5280 8.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8715 8.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5322 8.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1847 8.4765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8812 8.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 7.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 9.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 8.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 8.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 7.9231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2893 7.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7226 7.1722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1944 6.6716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3111 7.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0368 7.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 7.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 6.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 6.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8778 7.4953 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 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 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 127133 1 0 0 0 0 144145 1 1 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 144153 1 0 0 0 0 126144 1 0 0 0 0 M END > LMISSP0505BD04 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C100H178N4O47 > 2187.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261207 > - > - > Active (generated by computational methods) > - $$$$