Accord 08271317192D 153161 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0311 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2763 5.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6218 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 8.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3210 8.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6427 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9829 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3231 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6633 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3437 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6839 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0241 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3642 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7045 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3849 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7251 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4055 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7457 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0859 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4261 6.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7112 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0514 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3916 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7318 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0720 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4122 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7524 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0926 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7730 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1131 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 7.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7936 7.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 9.9587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 9.4567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0787 10.2337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 9.9932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5290 10.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 9.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 10.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 10.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 8.8632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1617 9.1039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3148 8.8820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8770 9.6402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7188 9.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3273 9.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 8.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6771 9.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4064 9.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5657 9.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 9.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 8.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 8.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 8.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8017 8.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 8.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1131 8.2885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6753 9.0467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 8.8062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1256 9.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 8.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 8.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 9.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 9.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5822 9.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 7.6762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 7.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 7.6950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4736 8.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3153 8.2127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9239 8.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 7.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 7.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 8.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1623 8.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3805 8.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 7.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0354 7.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3617 7.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3983 7.0827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5565 7.3234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7096 7.1015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2719 7.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1136 7.6192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7222 7.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 6.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0719 7.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 8.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9606 7.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1787 8.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 6.9438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8188 6.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0834 6.4781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1682 6.2691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7325 6.9275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2441 6.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 6.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 6.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 5.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 6.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 9.8916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3813 10.5272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5393 10.7674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5485 11.6428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1505 11.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9287 11.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2769 10.1480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 11.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 11.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9925 10.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 11.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0808 10.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2258 9.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7526 10.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4062 11.4182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8042 12.0538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9623 12.2939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9714 13.1694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5735 12.5339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3516 12.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 11.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 12.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 13.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4154 12.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9007 12.9591 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 76 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 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 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 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 M END > LMISSP0504BA04 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C100H178N4O47 > 2187.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260823 > - > - > Active (generated by computational methods) > - $$$$