Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.4168 7.1748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8379 7.5080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2587 7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0821 6.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 5.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8967 6.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1530 8.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5151 8.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3134 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7298 6.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1462 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5626 6.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9791 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6749 7.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0913 7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5077 7.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9241 7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3405 7.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7570 7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1733 7.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5898 7.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9791 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5898 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9503 6.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3109 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6714 6.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0319 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3925 6.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3452 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7114 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0775 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4437 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8098 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1759 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5421 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9082 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2744 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6405 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0067 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3728 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7390 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1051 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 5.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8374 5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4705 9.0912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7263 9.3040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9776 9.1078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5906 9.7781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3348 9.5655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9887 9.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8176 8.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4138 9.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1746 9.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0836 9.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3923 10.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6451 9.3343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9009 9.5470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1522 9.3509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7652 10.0212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5093 9.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1633 10.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9921 9.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5884 9.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7565 10.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2581 10.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5669 10.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8145 8.8096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0704 9.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3216 8.8262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9346 9.4965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6788 9.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3327 9.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1616 8.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7578 8.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5186 9.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4276 9.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7364 9.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0568 8.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3154 8.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7197 8.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9891 9.0526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2449 9.2654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4962 9.0693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1092 9.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8533 9.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5073 9.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 8.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9324 9.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1005 10.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6021 9.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9109 9.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1585 8.5280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4144 8.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6656 8.5446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2786 9.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0228 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6767 9.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5056 8.4051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1018 8.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8626 8.9747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 9.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0804 9.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4008 8.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6594 8.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 8.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3331 8.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5889 8.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8402 8.7877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4532 9.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1973 9.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8513 9.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6802 8.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 8.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4445 9.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 9.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 9.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2729 8.6482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9367 8.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2866 8.2365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4775 8.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9764 8.6339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5446 8.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4263 8.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9466 7.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 7.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6266 8.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 9.0202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8759 8.8246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3313 8.2746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6569 8.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4057 8.8503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0061 8.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1253 8.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 8.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 9.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9505 9.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2156 9.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3814 10.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8492 11.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1049 11.2608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1130 12.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6453 11.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4491 11.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7569 10.7132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6965 11.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6326 12.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3896 11.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9345 11.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5836 10.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7118 10.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2934 10.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1031 11.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5709 12.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8266 12.6103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8346 13.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3669 12.8225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1708 13.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4786 12.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4182 13.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1112 12.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6562 13.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7665 13.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0224 13.3217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2736 13.1255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8866 13.7958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6308 13.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2847 13.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1136 12.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7098 13.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 14.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 13.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 14.0540 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 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 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 117131 1 0 0 0 0 142143 1 1 0 0 0 144143 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 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 153154 1 0 0 0 0 153155 2 0 0 0 0 95142 1 0 0 0 0 156157 1 1 0 0 0 158157 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 150156 1 0 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 170169 1 1 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 171176 1 0 0 0 0 167176 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 172177 1 0 0 0 0 163167 1 0 0 0 0 M END > LMISSP0505EA07 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C114H200N4O57 > 2537.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261738 > - > - > Active (generated by computational methods) > - $$$$