Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.3403 8.5627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6860 8.9394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6222 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3212 9.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3034 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6438 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3247 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0055 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3459 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0267 7.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 7.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3756 6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0359 6.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0444 5.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3867 5.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7253 5.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 5.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7485 5.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 5.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4293 5.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7677 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1101 5.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 5.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3716 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0524 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3928 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0737 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7545 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0949 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7757 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4566 8.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 8.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 10.9710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 11.5073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 11.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 10.5914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 10.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 11.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 11.0053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 11.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 11.0241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0788 11.7823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 11.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 11.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 10.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 11.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 12.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 11.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9857 12.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 10.4118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1617 10.6525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.4306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8771 11.1888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7188 10.9483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 11.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 10.2729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6771 10.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4065 10.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5658 11.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7840 11.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 10.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 9.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7652 10.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 9.8183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 10.0590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1132 9.8371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6754 10.5953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5171 10.3548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1257 10.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 9.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 10.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 11.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 10.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 10.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 9.2248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7583 9.4655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9115 9.2436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4737 10.0018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3154 9.7613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9240 9.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8615 9.0859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2737 9.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0031 9.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 9.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3806 10.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 8.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0355 8.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 8.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3984 8.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5566 8.8720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7098 8.6501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2720 9.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1137 9.1678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7223 9.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 8.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 8.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 9.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9607 9.3896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 9.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 8.4924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8189 7.8340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0835 8.0267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1684 7.8177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7327 8.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2442 8.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3727 7.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 7.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1684 7.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 8.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9833 11.4402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3814 12.0758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5394 12.3160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5486 13.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1506 12.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9287 12.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 11.6966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0775 12.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 13.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9925 12.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4778 12.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 11.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 11.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7527 11.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2022 12.0045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3604 12.2452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5136 12.0233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0758 12.7815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9175 12.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5261 12.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 11.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8758 12.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 13.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 12.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9827 13.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 11.8656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0108 11.1054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2798 10.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5984 10.2511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7489 11.1051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3951 10.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4119 11.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 10.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 9.8188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 11.3137 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 2 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 31 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 3 36 2 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 80 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 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 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 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 97133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 140147 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 153158 1 0 0 0 0 M END > LMISSP0504AZ08 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C110H194N4O51 > 2387.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260819 > - > - > Active (generated by computational methods) > - $$$$