Accord 08271317192D 163172 0 0 0 0 0 0 0 0999 V2000 24.4816 6.9331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9669 7.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4521 6.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7791 6.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1840 6.4184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6449 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6449 5.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1302 6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 7.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6800 7.7261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6117 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0929 6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5741 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0553 6.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5366 6.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9331 7.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4143 6.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8955 7.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3767 6.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8578 7.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3392 6.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8203 7.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3015 6.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5366 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3015 6.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7330 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1646 6.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5962 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0277 6.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4593 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9731 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4096 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8462 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2827 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7192 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1557 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0288 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4653 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9018 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3384 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7749 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2114 5.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6479 5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5293 8.6368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8678 8.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2022 8.6515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8581 9.2474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5197 9.0584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2120 9.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9489 8.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 8.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4883 9.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1853 9.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5709 9.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0176 8.8528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3561 9.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6905 8.8676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3464 9.4635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0079 9.2745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7003 9.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4372 8.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1893 9.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3387 9.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6736 9.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0591 9.6930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5013 8.3864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8398 8.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1742 8.4012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8302 8.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4917 8.8080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1841 8.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9209 8.2772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6730 8.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4603 8.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1573 8.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5429 9.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8278 8.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0576 7.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5281 8.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9896 8.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3281 8.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6625 8.6173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3184 9.2131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9800 9.0241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6723 9.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4092 8.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 8.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3107 9.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6456 9.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0312 9.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4733 8.1361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8118 8.3252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1462 8.1508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8022 8.7467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4637 8.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1561 8.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8929 8.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 8.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 8.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1294 8.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5149 8.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 7.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 7.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5001 7.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9616 8.3522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3001 8.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6345 8.3669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2905 8.9628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9520 8.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6444 8.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3812 8.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 8.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2827 9.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6177 8.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0032 9.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 8.5737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0121 8.1497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7620 7.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0777 7.5806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6195 8.0047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2949 7.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3012 8.0399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3587 7.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 7.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8697 8.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3109 8.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3639 7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6322 7.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1878 7.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 6.5666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0092 6.7558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3436 6.5814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9996 7.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6611 6.9883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3535 7.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0903 6.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 6.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9918 7.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 7.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7123 7.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7282 6.4574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4294 5.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8515 6.0914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1322 5.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5757 6.4447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1918 6.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8646 6.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 5.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1322 5.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 6.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0191 8.2430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0254 7.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4508 7.4816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9153 6.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0336 7.6453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7555 7.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 7.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3445 7.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1162 6.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 7.8092 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 126133 1 0 0 0 0 144145 1 1 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 144153 1 0 0 0 0 139144 1 0 0 0 0 154155 1 1 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 157158 1 0 0 0 0 158159 1 0 0 0 0 158163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 154163 1 0 0 0 0 114154 1 0 0 0 0 M END > LMISSP0505AX04 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O51 > 2333.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261159 > - > - > Active (generated by computational methods) > - $$$$