Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4116 7.1948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8275 7.5311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2432 7.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0739 6.6106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4620 6.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4620 5.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8778 6.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1455 8.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5018 8.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2893 6.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7005 6.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1117 6.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5229 6.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9342 6.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6541 7.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0653 7.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4765 7.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8877 7.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2988 7.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7101 7.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1212 7.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5324 7.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9342 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5324 6.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8872 6.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2421 6.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5969 6.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9517 6.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3066 6.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2946 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6551 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0156 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3761 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7365 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0970 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4575 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8179 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1784 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5389 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8994 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2598 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6203 5.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9808 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4658 9.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7149 9.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9595 9.1451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5690 9.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3199 9.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9707 9.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8070 9.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3907 9.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1493 9.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0754 9.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3780 10.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6150 9.3736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8642 9.5883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1088 9.3904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7183 10.0667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4691 9.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1200 10.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9563 9.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5400 9.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7095 10.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2246 10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5273 10.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7592 8.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0083 9.0589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2529 8.8610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8624 9.5373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6133 9.3227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2641 9.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1004 8.7203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6841 9.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 9.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3688 9.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6714 9.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9947 8.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2556 8.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6546 8.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9085 9.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1576 9.3042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4022 9.1063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0117 9.7825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7625 9.5680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4134 9.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2497 8.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 9.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0029 10.2224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5180 9.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8207 10.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0526 8.5601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3018 8.7748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5463 8.5769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1558 9.2531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9067 9.0386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5575 9.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3938 8.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9775 8.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7361 9.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6622 9.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9648 9.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 8.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9480 8.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2019 8.8054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4510 9.0200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6956 8.8221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3051 9.4984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0560 9.2839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7068 9.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5431 8.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1268 8.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 9.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8115 9.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1141 9.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4693 9.0568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8542 8.5755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5703 7.8481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7937 7.9296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4086 8.4110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0403 8.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1823 8.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1126 7.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4326 8.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 9.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0584 8.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2864 10.5362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7495 11.1032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9985 11.3174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0066 12.0983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5437 11.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3457 11.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6563 10.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5865 11.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5219 12.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2946 11.3171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 11.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4814 10.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6108 10.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1887 10.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9877 11.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4507 12.4648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6998 12.6790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7079 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2449 12.8930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0470 13.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3576 12.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2877 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9242 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9959 12.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 13.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6302 13.1820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8794 13.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1240 13.1988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7335 13.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4843 13.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1352 13.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9715 13.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5551 13.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 14.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2398 13.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5424 14.1356 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 115119 1 0 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 133132 1 1 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 134139 1 0 0 0 0 130139 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 141142 1 0 0 0 0 141143 2 0 0 0 0 93130 1 0 0 0 0 144145 1 1 0 0 0 146145 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 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 138144 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 151155 1 0 0 0 0 M END > LMISSP0505CO04 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C106H188N4O53 > 2365.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261495 > - > - > Active (generated by computational methods) > - $$$$