Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.3434 7.4532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6898 7.8294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0359 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7213 6.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9655 6.7994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9973 7.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2807 5.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6270 6.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0456 8.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3253 8.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9686 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3096 6.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6508 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9919 6.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3330 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3768 7.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7178 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0589 7.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4001 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7410 7.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0824 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4233 7.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7644 7.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3330 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7644 6.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0425 6.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3205 6.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5986 6.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8766 6.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1546 6.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6174 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9017 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1861 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4705 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0392 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3235 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6079 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8922 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1766 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4609 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7453 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 5.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4021 10.0175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5619 10.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7165 10.0362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2795 10.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1198 10.5529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7290 10.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6649 9.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0800 10.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8098 10.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9652 10.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1848 11.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2120 10.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3717 10.5322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5264 10.3107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0894 11.0674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9296 10.8274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5389 11.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4747 10.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8898 10.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0795 11.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7751 11.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9946 11.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0160 9.6994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1757 9.9397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3304 9.7183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8934 10.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7335 10.2350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3428 10.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2788 9.5608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6938 9.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4236 10.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5791 10.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7986 10.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1605 9.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4524 9.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7799 9.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8258 9.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9856 10.2142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1402 9.9926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7032 10.7494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5434 10.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1527 10.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0885 9.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 10.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6934 11.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3888 10.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6084 11.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6298 9.3814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7896 9.6218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9442 9.4002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5071 10.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3474 9.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9567 10.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8926 9.2428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 9.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 9.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1929 10.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 10.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 9.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0662 8.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 9.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 9.6560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5994 9.8961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7539 9.6747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3170 10.4315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1572 10.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7664 10.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7024 9.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 9.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 10.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0027 10.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 10.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2424 9.5173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8629 8.8601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1289 9.0524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2154 8.8438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7786 9.5010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2910 9.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4158 9.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 8.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 8.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 9.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0105 11.5930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4097 12.2273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5693 12.4671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5784 13.3410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1794 12.7065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9579 13.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3055 11.8487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1082 12.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 13.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0197 12.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5060 13.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1098 11.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2544 11.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7821 11.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4381 13.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8372 13.7512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9967 13.9908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0058 14.8647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6068 14.2304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3853 14.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 13.3727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5357 14.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 15.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 13.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9335 14.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 14.5538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9596 14.7941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1143 14.5725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6772 15.3294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5175 15.0893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1268 15.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 14.4151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 14.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 15.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 15.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 15.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 14.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2363 14.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 14.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2731 13.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2810 12.6137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5513 12.4057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8711 11.7611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0213 12.6135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6682 12.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 13.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4162 11.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 11.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7512 12.8217 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 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 120121 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 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 114119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 93129 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 137143 1 0 0 0 0 154155 1 1 0 0 0 156155 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 154163 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 165166 1 0 0 0 0 165167 2 0 0 0 0 150154 1 0 0 0 0 168169 1 1 0 0 0 169170 1 1 0 0 0 171170 1 1 0 0 0 171172 1 0 0 0 0 172173 1 0 0 0 0 172177 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 168177 1 0 0 0 0 149168 1 0 0 0 0 6 46 1 0 0 0 0 M END > LMISSP0505CQ04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C114H201N5O56 > 2536.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261511 > - > - > Active (generated by computational methods) > - $$$$