Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.5000 6.8657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0037 7.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5072 6.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7870 6.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2131 6.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9966 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 6.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 5.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1968 6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2739 7.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7270 7.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6967 6.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1964 6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6960 6.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1957 6.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6955 6.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0066 7.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5063 6.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0060 7.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5057 6.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0053 7.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5051 6.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0047 7.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 6.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6955 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5043 6.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9561 6.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4079 6.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8597 6.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 6.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7633 6.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1520 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6086 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0652 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5218 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9784 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4349 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8915 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8047 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2613 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7178 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1744 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6310 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0876 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5442 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0007 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4573 5.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 5.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5460 8.5087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9081 8.6911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2662 8.5229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9344 9.0975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5723 8.9153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2757 9.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9863 8.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7828 8.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5777 8.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 9.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6217 9.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1237 8.7171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4858 8.8995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8439 8.7313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5121 9.3059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1500 9.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8534 9.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5640 8.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3605 8.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5046 9.6797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7920 9.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1994 9.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6970 8.2672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0591 8.4496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4172 8.2815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0854 8.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7233 8.6738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4267 8.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1373 8.1619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9338 8.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7287 8.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3653 8.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7727 9.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0475 8.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2691 7.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7585 8.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2747 8.4756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6367 8.6580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9949 8.4899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6630 9.0645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3010 8.8822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0044 9.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7150 8.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5115 8.6194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6556 9.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9430 9.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3504 9.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8480 8.0258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2100 8.2082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5682 8.0400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2363 8.6147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8743 8.4324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5776 8.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2883 7.9205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0848 8.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8797 8.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5163 8.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9237 8.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1985 7.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4201 7.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9095 7.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4257 8.2342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7877 8.4166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1458 8.2484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8140 8.8231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4520 8.6408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1553 8.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 8.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 8.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8066 9.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0940 8.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5014 9.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9990 7.7844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3610 7.9668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7191 7.7986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3873 8.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0253 8.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7286 8.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4393 7.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 7.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0307 8.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6673 8.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0747 8.5946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3494 7.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5711 7.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 7.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5767 7.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9387 8.1752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2968 8.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9650 8.5816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6030 8.3994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3063 8.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0169 7.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8135 8.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 8.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 8.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 8.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 7.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3796 7.3884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8222 7.5345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1286 7.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5563 7.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1860 7.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 7.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 7.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1286 6.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1137 7.7292 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 143148 1 0 0 0 0 M END > LMISSP0505CS06 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O47 > 2243.23 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261529 > - > - > Active (generated by computational methods) > - $$$$