Accord 08271317192D 171181 0 0 0 0 0 0 0 0999 V2000 24.3415 7.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6877 7.8280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0336 7.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9635 6.7978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9956 7.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2785 6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2785 5.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6247 6.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0436 8.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3231 8.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9660 6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3070 6.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6479 6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9889 6.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3299 6.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3743 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7152 7.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0562 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3971 7.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7380 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0791 7.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4199 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7608 7.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3299 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7608 6.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0387 6.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 6.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5945 6.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8723 6.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1502 6.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6140 5.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8982 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1824 5.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4666 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7508 5.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0350 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3190 5.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6032 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4020 9.4872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5617 9.7274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7160 9.5059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2790 10.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1194 10.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7286 10.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6647 9.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0794 9.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8092 9.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9651 10.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1845 10.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2111 9.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3706 10.0020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5251 9.7804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0880 10.5374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9284 10.2974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5376 10.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4737 9.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8884 9.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0782 11.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7741 10.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9935 10.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0144 9.1690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1740 9.4094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3284 9.1879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8913 9.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7317 9.7047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3409 9.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2770 9.0304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 9.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4215 9.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5774 9.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7968 10.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1586 8.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4507 8.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7780 8.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8235 9.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9831 9.6839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1375 9.4624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7004 10.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5408 9.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1500 10.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0860 9.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5008 9.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 10.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 10.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6058 10.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 8.8510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7864 9.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9408 8.8698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5037 9.6267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3441 9.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9533 9.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 8.7123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 9.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0339 9.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 9.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4092 9.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7710 8.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0631 8.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3903 8.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 9.1256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5954 9.3659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7498 9.1443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3128 9.9013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1531 9.6612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7623 9.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6985 8.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 9.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3029 10.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9989 9.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2182 10.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 8.9868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8588 8.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1246 8.5219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2108 8.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7742 8.9706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2866 8.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4118 8.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 8.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 7.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 8.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0078 11.0630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4068 11.6976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5662 11.9374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5753 12.8115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1765 12.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9549 12.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3026 11.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1050 12.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 12.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0170 11.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5032 12.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1069 11.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2516 10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7791 11.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4348 12.5871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8338 13.2218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9931 13.4615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0022 14.3356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6034 13.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3818 14.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7295 12.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5319 13.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2444 14.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4440 13.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9301 14.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 14.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9555 14.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1100 14.0433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6728 14.8003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5133 14.5602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1225 14.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0586 13.8858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 14.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 15.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 14.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5783 15.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 13.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 13.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5596 13.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2696 12.8431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2774 12.0841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5475 11.8760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8672 11.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0175 12.0838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6642 11.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 12.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4124 11.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1225 10.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7475 12.2921 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 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 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 144148 1 0 0 0 0 162163 1 1 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 162171 1 0 0 0 0 143162 1 0 0 0 0 6 40 1 0 0 0 0 M END > LMISSP0505CQ01 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O56 > 2452.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261508 > - > - > Active (generated by computational methods) > - $$$$