Accord 08271317192D 147155 0 0 0 0 0 0 0 0999 V2000 24.3399 7.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6847 7.8376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0292 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 6.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 5.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6194 6.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3194 8.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9592 6.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2987 6.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6382 6.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9776 6.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3172 6.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3684 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7079 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0474 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3868 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7262 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0659 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4053 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7447 7.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3172 5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7447 6.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0210 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2973 6.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8497 6.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1260 6.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5998 5.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8824 5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1650 5.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4476 5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7301 5.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0127 5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 5.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5779 5.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5584 9.8702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7110 9.6482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2730 10.4068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1152 10.1662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7236 10.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6617 9.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0729 9.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8021 10.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9627 10.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 10.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2028 9.9045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3606 10.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5131 9.9233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0751 10.6819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9173 10.4413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5257 10.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4638 9.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8750 10.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0652 11.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7649 10.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9825 10.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9991 9.3106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1569 9.5515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3094 9.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8714 10.0881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7136 9.8474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3220 10.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2601 9.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6713 9.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4005 9.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5612 10.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7788 10.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1416 8.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4342 8.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7600 8.9867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8012 9.5858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9590 9.8266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1115 9.6046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6735 10.3632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5158 10.1226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1241 10.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0622 9.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4734 9.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6636 10.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 10.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5809 10.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 8.9919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7553 9.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9079 9.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4698 9.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3121 9.5287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9204 9.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8585 8.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2697 9.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9989 9.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1596 9.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3772 10.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7400 8.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0326 8.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3584 8.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 9.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5574 9.5079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7100 9.2858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2719 10.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1142 9.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7225 10.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6606 9.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0718 9.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 10.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 10.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1794 10.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 9.1280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8192 8.4692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0834 8.6620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1676 8.4529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7323 9.1118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2435 8.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3733 8.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 8.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1676 7.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4682 8.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9816 11.2087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3793 11.8447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5369 12.0850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5460 12.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1484 12.3251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9264 12.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2748 11.4652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0747 12.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 12.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9909 12.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4758 12.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0786 11.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2237 11.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 11.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4030 12.7362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8006 13.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9582 13.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9673 14.4885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5698 13.8525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3477 14.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6962 12.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 14.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2100 14.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4122 13.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8972 14.2781 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 123124 1 1 0 0 0 125124 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 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 87123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 M END > LMISSP0505CP01 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H166N4O47 > 2103.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261500 > - > - > Active (generated by computational methods) > - $$$$