Accord 08271317192D 179190 0 0 0 0 0 0 0 0999 V2000 24.4161 7.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8324 7.5274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2486 7.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7535 6.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0786 6.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 7.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4672 6.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4672 5.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8835 6.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1502 8.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5070 8.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2955 6.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7072 6.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1188 6.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5305 6.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9422 6.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6600 7.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0717 7.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4833 7.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8950 7.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3065 7.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7184 7.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1299 7.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5416 7.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9422 5.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5416 6.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8969 6.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2523 6.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6076 6.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9629 6.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3183 6.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3032 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6642 5.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0252 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3862 5.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7472 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1081 5.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4691 5.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8301 5.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9814 9.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4476 9.5322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6974 9.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9424 9.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5523 10.2247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3026 10.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9537 10.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7894 9.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3740 9.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1329 9.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0575 10.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3606 10.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5990 9.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8487 9.9918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0939 9.7940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7037 10.4698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4540 10.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1051 10.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9407 9.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5255 9.9464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6950 10.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2089 10.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 10.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7452 9.2482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9950 9.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2401 9.2650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8499 9.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6001 9.7264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2512 9.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0869 9.1245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6717 9.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4305 9.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3552 9.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6582 10.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9813 8.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2420 8.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6415 8.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8967 9.4933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1464 9.7079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3915 9.5100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0014 10.1859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7516 9.9715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4027 10.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2383 9.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 9.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9926 10.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5065 10.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8097 10.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0429 8.9643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2926 9.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5378 8.9811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1475 9.6568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8978 9.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5490 9.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3846 8.8405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9693 9.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 9.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6527 9.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9559 9.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2790 8.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5396 8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9391 8.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1942 9.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4440 9.4239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6891 9.2261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2989 9.9019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0492 9.6876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7003 9.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 9.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1207 9.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 10.3415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 9.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 10.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4636 9.4607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8491 8.9798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5653 8.2529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7893 8.3343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4037 8.8153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0358 8.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 8.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1081 7.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 8.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 9.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 9.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1253 9.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1324 8.4080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4808 8.2222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8734 7.6465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0076 8.4078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6923 8.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4899 8.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3602 7.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1013 7.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6593 8.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2758 10.9390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7393 11.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9888 11.7195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9970 12.4999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5336 11.9334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3358 12.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6462 11.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5771 12.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5127 12.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2840 11.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8253 12.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4714 11.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6007 10.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1789 11.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9788 12.2996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4423 12.8662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6918 13.0802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6999 13.8605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2365 13.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0388 13.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3492 12.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 13.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 14.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9870 13.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5283 13.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6231 13.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8727 13.7973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1179 13.5996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7277 14.2754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4780 14.0610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1291 14.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9648 13.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 13.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 14.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2329 14.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5360 14.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9386 12.5281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9456 11.8505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2940 11.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6866 11.0892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8208 11.8503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5054 11.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3031 12.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1734 11.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9145 10.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4725 12.0362 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 115114 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 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 109113 1 0 0 0 0 124125 1 1 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 124133 1 0 0 0 0 108124 1 0 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 134143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 145146 1 0 0 0 0 145147 2 0 0 0 0 87134 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 142148 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 155159 1 0 0 0 0 170171 1 1 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 170179 1 0 0 0 0 154170 1 0 0 0 0 6 40 1 0 0 0 0 M END > LMISSP0505AT01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C112H196N4O61 > 2573.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261124 > - > - > Active (generated by computational methods) > - $$$$