Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.3403 8.5628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6860 8.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6223 7.8996 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 9.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3034 7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6439 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3247 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0055 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3460 7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0268 7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 6.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 6.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0445 5.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3867 5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7253 5.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 5.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 5.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7485 5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7678 5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1102 5.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 5.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3716 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0524 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3929 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0737 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7545 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0950 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7758 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4566 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 8.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9608 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 10.9711 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 11.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2669 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 10.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 10.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 11.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 11.0054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 11.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 11.0242 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 11.5419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 11.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 10.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 11.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 12.2755 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 10.4119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1618 10.6526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.4307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8771 11.1889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7188 10.9484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 11.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2650 10.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6772 10.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4065 10.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5658 11.1702 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 17.1465 10.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 9.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7652 10.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 9.8184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9601 10.0591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1132 9.8372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6754 10.5954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5172 10.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1257 10.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0633 9.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4755 10.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6656 11.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3641 10.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 10.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 9.2249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7584 9.4656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9115 9.2437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4737 10.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3155 9.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9240 9.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8616 9.0860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 9.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0032 9.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1624 9.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3806 10.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 8.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 8.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 8.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3984 8.6314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5567 8.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7098 8.6502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2721 9.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1138 9.1679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7224 9.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 8.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 8.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2622 9.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9608 9.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 9.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1992 8.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8190 7.8341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0836 8.0268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1685 7.8178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7327 8.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2443 8.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 7.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 7.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 7.3155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 8.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 11.4403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3814 12.0759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5395 12.3160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5486 13.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1507 12.5560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9288 12.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 11.6967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 12.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 13.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 12.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4779 12.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 11.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 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 10.4063 12.9668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8044 13.6024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9624 13.8426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9716 14.7180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5736 14.0825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3517 14.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 13.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5005 14.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2141 15.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4155 13.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9008 14.5078 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 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 141147 1 0 0 0 0 M END > LMISSP0504BA06 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O47 > 2243.23 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260825 > - > - > Active (generated by computational methods) > - $$$$