Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1951 6.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6633 5.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2573 7.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1325 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6208 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1090 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9612 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4495 6.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9378 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4261 6.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9143 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4027 6.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8909 7.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3791 6.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5974 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3791 6.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8184 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2578 6.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6970 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1363 6.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5757 6.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0416 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4858 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9300 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3742 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8184 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2626 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7068 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1510 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5952 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0394 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4836 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3720 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 5.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8873 9.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 9.0039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 8.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 8.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5903 9.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0582 8.8012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4057 8.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7492 8.8158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4098 9.4035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0623 9.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7589 9.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4857 8.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2548 8.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4022 9.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7189 9.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1128 9.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5762 8.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9237 8.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2672 8.3557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9278 8.9434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5803 8.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2769 8.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0037 8.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7728 8.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5630 8.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2369 8.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6308 9.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9118 8.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1386 7.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6163 8.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0987 8.5543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4462 8.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7897 8.5688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4503 9.1566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1029 8.9701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7994 9.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5262 8.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2953 8.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4427 9.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7594 9.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1534 9.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6167 8.0942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9642 8.2807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3077 8.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9683 8.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6209 8.5100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3174 8.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0442 7.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8133 8.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 8.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2775 8.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6714 8.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9524 7.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1791 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6568 7.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 8.3073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4867 8.4939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8302 8.3219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4909 8.9096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1434 8.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8399 8.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5667 8.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 8.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4832 9.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8000 8.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1939 9.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6573 7.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0048 8.0338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3482 7.8618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0089 8.4495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6614 8.2631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3579 8.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 7.7395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 7.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6441 8.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 8.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 8.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9929 7.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 7.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 7.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1798 8.0604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5273 8.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8707 8.0750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5314 8.6627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1839 8.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8805 8.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 7.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 8.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5237 9.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8405 8.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 8.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 7.9229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2886 7.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7218 7.1719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1936 6.6713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3103 7.3334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0360 7.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 7.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 6.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3918 6.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 7.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2419 8.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2480 7.5805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6813 7.4189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1531 6.9183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2698 7.5803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9955 7.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5590 7.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5765 7.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3513 6.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8365 7.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2014 8.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2075 7.8274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6408 7.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1126 7.1652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2293 7.8272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9550 7.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5185 8.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5359 7.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3108 6.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7960 7.9890 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 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 123122 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 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 128146 1 0 0 0 0 156157 1 1 0 0 0 157158 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 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 103156 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 78166 1 0 0 0 0 M END > LMISSP0505BB05 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C114H202N4O55 > 2507.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261192 > - > - > Active (generated by computational methods) > - $$$$