Accord 08271317192D 159168 0 0 0 0 0 0 0 0999 V2000 24.3405 7.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 7.3920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0305 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7191 6.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 6.3600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2759 5.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6210 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3206 8.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9613 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3011 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6410 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9809 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3208 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6606 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0005 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3404 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6803 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0202 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3600 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6999 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3797 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7195 5.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0594 6.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7100 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0499 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3897 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7296 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0695 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4094 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7492 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0891 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4290 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7689 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1088 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4487 7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7886 7.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2746 9.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 9.4572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0787 10.2342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9204 9.9937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5290 10.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8787 9.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0688 10.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7674 10.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 8.8637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1616 9.1044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3147 8.8825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8770 9.6407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7187 9.4002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3273 9.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2648 8.7248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6770 9.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4064 9.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5657 9.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7838 9.9328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1463 8.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 8.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7650 8.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8016 8.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9599 8.5109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1130 8.2890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6752 9.0472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 8.8067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1255 9.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 8.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 8.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 9.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3639 9.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5821 9.3393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5999 7.6767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 7.9174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 7.6955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4735 8.4537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3152 8.2132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9238 8.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 7.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2735 7.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 8.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 8.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 8.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 7.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 7.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 7.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3981 7.0832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5564 7.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7095 7.1020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2717 7.8602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1135 7.6197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7220 7.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 6.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0718 7.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 8.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 7.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1786 8.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1989 6.9443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8187 6.2859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 6.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1681 6.2696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7324 6.9280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2439 6.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 6.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 6.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 5.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 6.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 9.8921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3812 10.5278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5393 10.7679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5484 11.6433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1505 11.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9286 11.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2768 10.1485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0773 11.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 11.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 10.7676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 11.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0807 10.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 9.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 10.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 10.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3602 10.6971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5133 10.4752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0755 11.2334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9173 10.9929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5259 11.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 10.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8756 10.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 11.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7643 11.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9824 11.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0027 10.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0106 9.5573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2796 9.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5981 8.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7487 9.5570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3949 9.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4117 9.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 8.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8538 8.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 9.7656 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 16 17 1 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 3 28 2 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 31 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 89125 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 132139 1 0 0 0 0 150151 1 1 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 154159 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 150159 1 0 0 0 0 145150 1 0 0 0 0 M END > LMISSP0504AZ02 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C102H180N4O51 > 2277.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260813 > - > - > Active (generated by computational methods) > - $$$$