Accord 08271317192D 171181 0 0 0 0 0 0 0 0999 V2000 24.5250 7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0535 7.3340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5818 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7976 6.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2524 6.5909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9967 7.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7584 6.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7584 5.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2869 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3102 7.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7906 7.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8118 6.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3365 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8611 6.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3858 6.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9105 6.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1062 7.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6309 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1556 7.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6803 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2049 7.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7297 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2543 7.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7789 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9105 5.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7789 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2581 6.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7373 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2165 6.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6956 6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1749 6.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3943 5.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8780 5.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3617 5.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8455 5.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3292 5.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8129 5.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2967 5.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7804 5.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5687 8.6234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9626 8.7967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3528 8.6369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0376 9.1829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6437 9.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3618 9.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0369 8.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8936 8.7600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6987 8.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2536 9.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6906 9.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2675 8.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6614 8.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0515 8.8349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7363 9.3809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3424 9.2077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0606 9.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7357 8.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5923 8.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7292 9.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9523 9.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3893 9.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9620 8.3940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3559 8.5673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7461 8.4076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4309 8.9535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0370 8.7803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7551 8.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4302 8.2940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2869 8.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0920 8.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6468 8.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0839 9.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3449 8.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5555 8.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0703 8.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6607 8.5920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0546 8.7653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4448 8.6056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1296 9.1515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7357 8.9783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4538 9.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1289 8.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9856 8.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1225 9.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3456 9.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7826 9.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3553 8.1647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7492 8.3380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1394 8.1782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8241 8.7241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4302 8.5510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1484 8.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8235 8.0646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6802 8.3013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 8.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0401 8.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4771 8.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7382 7.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9488 7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 7.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 8.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4479 8.5360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8381 8.3762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5229 8.9221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1290 8.7489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8471 8.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5222 8.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3789 8.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5158 9.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7389 8.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1759 9.1324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 8.5656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3516 8.1771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1224 7.5899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4955 7.6557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9918 8.0443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6945 7.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6165 8.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7529 7.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 7.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2212 8.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7091 8.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 7.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9197 8.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 7.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1226 6.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5165 6.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9067 6.7403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5915 7.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1976 7.1130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9157 7.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5908 6.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 6.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5844 7.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 7.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2445 7.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 6.9297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4202 6.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1910 5.9540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5641 6.0198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0604 6.4084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7631 6.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6851 6.4406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8215 5.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 6.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2897 6.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7777 6.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 6.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 6.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 6.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2591 6.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2648 6.0793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7384 5.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2477 5.4642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3561 6.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1013 5.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 6.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6409 5.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 5.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8825 6.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1905 8.2626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1962 7.7152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6698 7.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1791 7.1001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2875 7.7150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0327 7.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4850 8.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5724 7.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3632 6.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8139 7.8652 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 6 40 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 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 120127 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 149150 1 0 0 0 0 149151 2 0 0 0 0 134138 1 0 0 0 0 152153 1 1 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 152161 1 0 0 0 0 133152 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 108162 1 0 0 0 0 M END > LMSP0505AY01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O56 > 2452.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261164 > - > - > Active (generated by computational methods) > - $$$$