Accord 08271317182D 147155 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 7.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0306 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7191 6.3607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 6.3607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6211 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9613 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3012 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6411 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9810 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3209 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6608 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0007 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3406 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6805 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0204 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3603 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7002 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0401 5.9736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3800 6.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3702 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7101 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3899 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7298 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0697 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4096 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7495 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0893 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4292 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7691 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1090 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4490 7.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7889 7.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 9.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 9.2017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 9.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 9.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 9.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8042 9.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 10.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 9.4578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 9.6985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 9.4766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0789 10.2348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9206 9.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5292 10.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 9.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 9.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0690 10.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 10.2161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9857 10.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 8.8643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1619 9.1050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3150 8.8831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8772 9.6413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7189 9.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3275 9.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2651 8.7254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6773 9.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4067 9.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5659 9.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7841 9.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1466 8.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4390 8.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7653 8.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8019 8.2709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9602 8.5115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1133 8.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6756 9.0478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5173 8.8073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1259 9.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 8.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4756 8.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6657 9.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3643 9.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5824 9.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6003 7.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7586 7.9180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9117 7.6962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4739 8.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3156 8.2138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9242 8.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8618 7.5384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2740 7.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0034 8.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1626 8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 8.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7433 7.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0357 7.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 7.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3986 7.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5569 7.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7100 7.1027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2723 7.8608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1140 7.6203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7226 7.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6601 6.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 7.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2624 8.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 7.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 8.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1994 6.9449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8192 6.2866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0838 6.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1687 6.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7330 6.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2445 6.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 6.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 6.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 5.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 6.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 9.8927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3815 10.5283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5396 10.7685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5488 11.6439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1508 11.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9289 11.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 10.1491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0777 11.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0054 11.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9927 10.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4780 11.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0811 10.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2261 9.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7529 10.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2024 10.4570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3607 10.6977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5138 10.4758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0760 11.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9178 10.9935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5263 11.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4639 10.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8761 10.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0662 11.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7647 11.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9829 11.5260 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 3 26 2 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 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 70 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 95102 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 130137 1 0 0 0 0 M END > LMISSP0504AY01 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H166N4O47 > 2103.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260804 > - > - > Active (generated by computational methods) > - $$$$