Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.1998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1556 6.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6979 7.6897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 6.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6207 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1090 6.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5973 6.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9612 7.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4495 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9377 7.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4260 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9142 7.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4026 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8908 7.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3791 6.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5973 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3791 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8183 6.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2577 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6969 6.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1362 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5755 6.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0415 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4857 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9299 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3741 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8183 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2625 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7067 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1509 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5951 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0392 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4834 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9276 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8160 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2602 5.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7044 5.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2266 8.6025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8873 9.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 8.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 8.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0582 8.8011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4056 8.9877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7491 8.8157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4097 9.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0623 9.2170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7588 9.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4856 8.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2547 8.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4021 9.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 9.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1128 9.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5761 8.3410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9236 8.5276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2671 8.3556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9277 8.9433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5802 8.7569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2768 8.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0036 8.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7727 8.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5629 8.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2368 8.9288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6307 9.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9118 8.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1385 7.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6162 8.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0986 8.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4461 8.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7896 8.5687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4502 9.1565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1027 8.9700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7993 9.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5261 8.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2952 8.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4425 9.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7593 9.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1532 9.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6166 8.0941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9641 8.2807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3075 8.1086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9682 8.6964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6207 8.5100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3172 8.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0441 7.9864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8132 8.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 8.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2773 8.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6712 8.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9522 7.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1789 7.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6566 7.8431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1391 8.3072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4865 8.4938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8300 8.3218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4906 8.9095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1432 8.7231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8397 8.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5665 8.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3356 8.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4830 9.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7998 8.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1937 9.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6570 7.8471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0045 8.0337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3480 7.8617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0086 8.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6611 8.2630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3577 8.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 7.7394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 7.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6438 8.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3177 8.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7116 8.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 7.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2194 7.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6971 7.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 8.0603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5270 8.2469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8704 8.0749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5311 8.6626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1836 8.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8802 8.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 7.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3761 8.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 9.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 8.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2341 8.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2821 7.9228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2883 7.3335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7216 7.1718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1933 6.6712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3100 7.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0357 7.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5992 7.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 6.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 6.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8768 7.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 8.1697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2478 7.5804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6811 7.4188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1529 6.9182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2696 7.5802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9953 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5588 7.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5762 7.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3511 6.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 7.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2013 8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2074 7.8274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6407 7.6657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1124 7.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2291 7.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9549 7.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5183 8.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5358 7.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3107 6.8300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7959 7.9889 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 128146 1 0 0 0 0 156157 1 1 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 103156 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 78166 1 0 0 0 0 M END > LMISSP0505BB07 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C114H200N4O55 > 2505.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261194 > - > - > Active (generated by computational methods) > - $$$$