Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6858 7.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0309 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7189 6.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6215 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3209 8.0233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9619 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3020 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6421 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9822 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3223 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0025 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3426 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6826 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0227 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7029 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0430 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7232 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0633 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 5.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3707 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7108 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0509 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3910 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7310 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0712 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4112 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7513 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0914 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4315 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7716 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1117 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4518 7.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7919 7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 9.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 9.4570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0787 10.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 9.9934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5290 10.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 9.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0689 10.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 10.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 8.8635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1617 9.1041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3148 8.8823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8770 9.6404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7187 9.3999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3273 9.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2649 8.7245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6771 9.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4064 9.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5657 9.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 9.9325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 8.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 8.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 8.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8017 8.2700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 8.5106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1131 8.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6753 9.0469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 8.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1256 9.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 8.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 8.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 9.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 9.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5822 9.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 7.6765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 7.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 7.6953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4736 8.4534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3153 8.2129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9239 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 7.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 7.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 8.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1623 8.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 8.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 7.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0354 7.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 7.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 7.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5565 7.3236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7096 7.1018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2718 7.8599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1136 7.6194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7221 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 6.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0719 7.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 8.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 7.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1787 8.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 6.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8188 6.2856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0834 6.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1682 6.2693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7325 6.9278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2440 6.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 6.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 6.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 5.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 6.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 9.8919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3812 10.5275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5393 10.7676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5485 11.6431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1505 11.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9286 11.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2768 10.1482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 11.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0051 11.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 10.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 11.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0808 10.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2258 9.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 10.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 10.4562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3603 10.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5134 10.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0756 11.2331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9174 10.9926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5259 11.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4635 10.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8757 10.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 11.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7644 11.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9825 11.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0028 10.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0107 9.5570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2796 9.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5982 8.7028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7488 9.5567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3950 9.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 9.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1444 8.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 8.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4799 9.7654 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 134141 1 0 0 0 0 152153 1 1 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 152161 1 0 0 0 0 147152 1 0 0 0 0 M END > LMISSP0504AZ03 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C104H184N4O51 > 2305.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260814 > - > - > Active (generated by computational methods) > - $$$$