Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4115 7.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8274 7.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2430 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0738 6.6100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4618 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4618 5.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8777 6.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1454 8.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5017 8.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2891 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7003 6.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1114 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5225 6.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9337 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6539 7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0651 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4762 7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8873 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2984 7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7097 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1207 7.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5319 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9337 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5319 6.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8866 6.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2414 6.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5962 6.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9509 6.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3058 6.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2942 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6546 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0150 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3754 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7358 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0963 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8171 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1775 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5379 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8984 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2588 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6192 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9796 5.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.1280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7148 9.3427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9594 9.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5688 9.8211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3197 9.6065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9705 9.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8069 9.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3905 9.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1491 9.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0753 9.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3778 10.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6148 9.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8639 9.5879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1084 9.3900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7179 10.0663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4688 9.8518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1196 10.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9560 9.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5395 9.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7091 10.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2243 10.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5269 10.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7586 8.8438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0078 9.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2523 8.8606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8618 9.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6126 9.3224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2635 9.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0998 8.7199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6834 9.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4420 9.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3682 9.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6708 9.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9941 8.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2550 8.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6540 8.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9077 9.0891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1568 9.3038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4014 9.1059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0108 9.7822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7617 9.5676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4125 9.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2489 8.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8325 9.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 10.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5173 9.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8198 10.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0516 8.5597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3007 8.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5452 8.5764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1547 9.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9056 9.0382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5564 9.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3928 8.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9763 8.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 9.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6611 9.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9637 9.5133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2871 8.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5480 8.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9469 8.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 8.8049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4498 9.0196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6943 8.8217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3038 9.4980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0546 9.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7055 9.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5418 8.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1254 8.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2950 9.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8102 9.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1128 9.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4678 9.0564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8527 8.5751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5688 7.8476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7921 7.9291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4071 8.4106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0387 8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 8.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 7.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 8.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6911 9.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0568 8.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2855 10.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7485 11.1029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9975 11.3171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0056 12.0981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5427 11.5312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3448 11.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6554 10.7646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5854 11.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5209 12.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2938 11.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8346 11.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4805 10.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6099 10.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1877 10.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9866 11.8977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4496 12.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6986 12.6789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7067 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2438 12.8930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0459 13.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3565 12.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2865 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9231 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9949 12.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5357 13.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9455 12.1264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6064 11.5391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9504 11.7109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1340 11.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6373 12.1119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2016 11.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1004 11.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 11.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 11.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2934 11.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8693 10.4091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1137 10.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5642 9.6567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8837 10.0401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6393 10.2376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2361 10.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3654 9.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9969 9.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6523 10.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1890 10.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 10.6762 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 156157 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 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 155164 1 0 0 0 0 150155 1 0 0 0 0 165166 1 1 0 0 0 167166 1 1 0 0 0 168167 1 1 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 169174 1 0 0 0 0 165174 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 170175 1 0 0 0 0 68165 1 0 0 0 0 M END > LMISSP0505ED04 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C112H198N4O57 > 2511.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261759 > - > - > Active (generated by computational methods) > - $$$$