Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.3432 7.4537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6896 7.8299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0359 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7210 6.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9654 6.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9971 7.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 5.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6271 6.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0454 8.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3253 8.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9687 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3098 6.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6510 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9922 6.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3334 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3768 7.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7179 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0591 7.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4003 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7414 7.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0827 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4238 7.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7650 7.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3334 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7650 6.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0431 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3213 6.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5994 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8775 6.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1557 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6179 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9023 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1867 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4712 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7556 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0400 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3245 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6089 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8934 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1778 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4622 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7467 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5999 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4022 10.3139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5620 10.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7167 10.3327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2798 11.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1199 10.8493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7292 11.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6651 10.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0802 10.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8101 10.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9654 11.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1849 11.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2123 10.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3721 10.8286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5269 10.6072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0898 11.3638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9300 11.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5394 11.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4751 10.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8904 10.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0801 11.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7754 11.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9950 11.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0165 9.9960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1764 10.2363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3312 10.0147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8942 10.7715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7343 10.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3436 10.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2794 9.8574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6946 10.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4246 10.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5797 10.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7994 11.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1612 9.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4531 9.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7807 9.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8267 10.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9866 10.5107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1413 10.2892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7044 11.0459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5445 10.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1538 11.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 10.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5048 10.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6945 11.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 11.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6094 11.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6311 9.6780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7909 9.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9456 9.6968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5087 10.4536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3489 10.2135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9581 10.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8939 9.5394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3091 9.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0389 10.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1942 10.4349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 10.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7756 9.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0675 9.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 9.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 9.9526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6010 10.1927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7556 9.9712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3187 10.7280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1589 10.4880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7682 10.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 9.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1192 10.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3089 11.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0043 10.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 11.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2441 9.8138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8646 9.1567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1307 9.3490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2172 9.1404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7804 9.7976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2929 9.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 9.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 8.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 8.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 9.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0117 11.8893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4109 12.5237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5705 12.7634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5796 13.6372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1806 13.0029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9591 13.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3067 12.1452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1095 13.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0373 13.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0209 12.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5072 13.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1109 12.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2557 11.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7833 12.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4395 13.4130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8387 14.0474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9983 14.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0074 15.1608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6083 14.5265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3868 14.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 13.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5372 14.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2495 15.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4487 14.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9350 14.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8015 14.8499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9613 15.0902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1160 14.8686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6791 15.6255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5193 15.3853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1285 15.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 14.7112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 15.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 15.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3646 15.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5843 15.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 14.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 14.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 14.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 13.6689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2824 12.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5528 12.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8727 12.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0229 12.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6698 12.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6828 13.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4177 12.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1278 11.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7526 13.1180 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 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 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 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 156157 1 1 0 0 0 158157 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 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 167168 1 0 0 0 0 167169 2 0 0 0 0 152156 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 151170 1 0 0 0 0 6 48 1 0 0 0 0 M END > LMISSP0505CQ05 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C116H205N5O56 > 2564.33 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261512 > - > - > Active (generated by computational methods) > - $$$$