Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9811 7.2004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4733 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7822 6.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6981 7.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6444 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1327 6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6210 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1093 6.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5977 6.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9614 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4497 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9380 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4263 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9146 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4030 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8913 7.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5977 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8189 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2583 6.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6976 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1369 6.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5763 6.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0420 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4862 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9304 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3747 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8189 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2632 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7074 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1517 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5959 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0401 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4844 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9286 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3729 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2613 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7056 5.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8833 8.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2268 8.6030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8875 9.1907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9633 8.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7325 8.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5227 8.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 9.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0584 8.8016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4060 8.9881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7495 8.8161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4102 9.4038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0626 9.2174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7592 9.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4860 8.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2552 8.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4025 9.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7192 9.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1131 9.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5766 8.3415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9242 8.5281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2677 8.3561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9284 8.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5808 8.7574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2774 8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 8.2338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7734 8.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5636 8.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2374 8.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6313 9.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9123 8.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1390 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6167 8.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0993 8.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4469 8.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7904 8.5692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4510 9.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1035 8.9705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8001 9.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5268 8.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2961 8.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4434 9.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7601 9.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1540 9.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 8.0946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9650 8.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3086 8.1092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9692 8.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6217 8.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3183 8.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0450 7.9869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8142 8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6045 8.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2782 8.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6722 8.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9532 7.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1799 7.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6576 7.8437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1402 8.3077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4877 8.4943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8313 8.3223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4919 8.9100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1444 8.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8410 8.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5677 8.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3369 8.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 9.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 8.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1949 9.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 7.8477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0059 8.0342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3495 7.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0101 8.4499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6626 8.2635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3592 8.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 7.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8551 7.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6454 8.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 8.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7131 8.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 7.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 7.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6985 7.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1811 8.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5286 8.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8722 8.0754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 8.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1853 8.4767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8819 8.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 7.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 8.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5252 9.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 8.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 8.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 8.1702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2490 7.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6823 7.4193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1541 6.9188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2708 7.5808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9966 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 7.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5775 7.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3523 6.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8375 7.7425 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 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 103146 1 0 0 0 0 M END > LMSP0505BI05 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C102H182N4O47 > 2215.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261248 > - > - > Active (generated by computational methods) > - $$$$