Accord 08271317192D 151159 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 7.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0309 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7189 6.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9620 6.3597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2762 5.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6215 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0422 8.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3209 8.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9619 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3020 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6421 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9822 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3222 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0025 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3425 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6826 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0226 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7029 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0429 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7231 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4033 5.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7434 6.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3707 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7108 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0509 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3909 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7310 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0712 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4112 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7513 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0913 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4315 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7716 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1116 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4518 7.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7918 7.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 9.1819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5593 9.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7124 9.2007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2746 9.9589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 9.7184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 9.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 9.0430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 9.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 9.6872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 9.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1815 10.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2051 9.4569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3634 9.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5165 9.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0787 10.2338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9204 9.9933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5290 10.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4666 9.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8788 9.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0688 10.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7674 10.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9856 10.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0034 8.8634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1616 9.1040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3147 8.8822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8770 9.6403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7187 9.3998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3273 9.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2648 8.7244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6770 9.0531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4064 9.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5657 9.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 9.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1463 8.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 8.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7651 8.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8016 8.2699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9599 8.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1130 8.2887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6752 9.0468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 8.8063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1255 9.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0631 8.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4753 8.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 9.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3640 9.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5821 9.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5999 7.6764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7582 7.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 7.6952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4735 8.4533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3152 8.2128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9238 8.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8614 7.5374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2735 7.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 8.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1622 8.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 8.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7429 7.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 7.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3616 7.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 7.0829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5564 7.3235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7095 7.1017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2717 7.8598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1135 7.6193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7221 7.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6596 6.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0718 7.2726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 8.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 7.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1786 8.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1989 6.9439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8187 6.2855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0833 6.4782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1681 6.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7324 6.9277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2440 6.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 6.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6987 6.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 5.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 6.7351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9832 9.8918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3812 10.5274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5393 10.7675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5484 11.6430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1505 11.0075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9286 11.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2768 10.1481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 11.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 11.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 10.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4777 11.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0807 10.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 9.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7525 10.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4061 11.4183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8041 12.0540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9622 12.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9713 13.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5734 12.5340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3515 12.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6997 11.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5003 12.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2138 13.5990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4153 12.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9006 12.9593 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 91127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 135141 1 0 0 0 0 M END > LMISSP0504BA03 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O47 > 2159.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260822 > - > - > Active (generated by computational methods) > - $$$$