Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.4816 6.9329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9669 7.2291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4521 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7791 6.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1840 6.4181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6448 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6448 5.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1302 6.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2471 7.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6800 7.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6117 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0929 6.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5741 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0553 6.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5365 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9331 7.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4143 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8955 7.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3767 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8578 7.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3391 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8202 7.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 6.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5365 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 6.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7330 6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1646 6.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5961 6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0276 6.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4592 6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9731 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4096 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8461 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2826 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7191 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1556 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5922 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0287 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4652 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9017 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3382 5.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7747 5.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5293 8.6365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8677 8.8257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2022 8.6513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8581 9.2471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5196 9.0581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2120 9.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9489 8.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7010 8.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4883 9.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1853 9.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5708 9.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0175 8.8526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3560 9.0417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6904 8.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3464 9.4632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0079 9.2742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7003 9.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4371 8.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1892 9.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3386 9.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6736 9.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0591 9.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5012 8.3861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8397 8.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1741 8.4009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8301 8.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4916 8.8078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1840 8.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9208 8.2769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6729 8.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4602 8.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1573 8.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 9.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8277 8.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0575 7.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5280 8.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9895 8.6022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3280 8.7914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6624 8.6170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3183 9.2129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9799 9.0239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6722 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4091 8.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1612 8.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3106 9.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6455 9.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0311 9.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4732 8.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8117 8.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1461 8.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8020 8.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4636 8.5574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1559 8.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8928 8.0266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6449 8.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4322 8.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1292 8.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5148 8.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7997 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0295 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 7.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9615 8.3519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2999 8.5410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6344 8.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2903 8.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9518 8.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6442 8.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3811 8.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 8.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2825 9.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 8.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 9.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5538 8.5734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0119 8.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7618 7.5084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0775 7.5803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6193 8.0044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2948 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 8.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3585 7.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 7.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 8.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3107 8.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3637 7.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 7.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1876 7.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6705 6.5664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0090 6.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3434 6.5811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9993 7.1770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6609 6.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3532 7.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0901 6.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8422 6.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9916 7.5646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3265 7.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 7.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 6.4572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4292 5.9397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8512 6.0912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1320 5.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5755 6.4444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1916 6.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 6.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 5.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 5.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1535 6.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0190 8.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0252 7.6452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4506 7.4814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9151 6.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0334 7.6450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7553 7.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3404 7.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3443 7.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 6.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6080 7.8090 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 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 124131 1 0 0 0 0 142143 1 1 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 142151 1 0 0 0 0 137142 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 112152 1 0 0 0 0 M END > LMISSP0505AX03 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C104H184N4O51 > 2305.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261158 > - > - > Active (generated by computational methods) > - $$$$