Accord 08271317192D 159168 0 0 0 0 0 0 0 0999 V2000 24.3399 7.4600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6846 7.8372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0292 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 6.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 5.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6193 6.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3193 8.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9592 6.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2986 6.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 6.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9776 6.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3171 6.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3684 7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7078 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0473 7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3868 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7261 7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0658 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4052 7.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7446 7.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3171 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7446 6.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0208 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2971 6.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5733 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8496 6.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1259 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5997 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8823 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1649 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4474 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7300 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0126 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5777 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8603 5.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1429 5.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5584 9.8699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7110 9.6479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2729 10.4065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1152 10.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7235 10.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6617 9.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0729 9.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8021 10.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9627 10.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 10.6988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2027 9.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3605 10.1450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5131 9.9230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0750 10.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9173 10.4410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5256 10.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4637 9.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8749 10.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 11.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7648 10.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9825 10.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9990 9.3103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1567 9.5512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3093 9.3291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8713 10.0878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7135 9.8471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3218 10.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2600 9.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6712 9.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 9.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5610 10.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7787 10.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1414 8.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4341 8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7599 8.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8011 9.5855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9588 9.8263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1114 9.6043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6733 10.3629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5156 10.1223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1239 10.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0621 9.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4732 9.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6635 10.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3631 10.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5808 10.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5973 8.9916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7551 9.2324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 9.0104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4696 9.7690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3118 9.5284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9202 9.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 8.8525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 9.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9987 9.4972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1594 9.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 10.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7397 8.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 8.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 8.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 9.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5571 9.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7097 9.2855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2716 10.0442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1139 9.8035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7222 10.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6604 9.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 9.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 10.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9614 10.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1791 10.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1994 9.1277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8189 8.4689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0831 8.6617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1673 8.4526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7320 9.1114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2432 8.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 8.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6982 8.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1673 7.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4679 8.9187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9815 11.2084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3791 11.8444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5366 12.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5458 12.9607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1482 12.3248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9262 12.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2746 11.4649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0744 12.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 12.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 12.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4756 12.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0784 11.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2236 11.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7500 11.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4027 12.7359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8004 13.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9579 13.6122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9671 14.4882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5695 13.8523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3475 14.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6959 12.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4957 14.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 14.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 13.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 14.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2349 12.9924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8545 12.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1186 12.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2029 12.3173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7675 12.9762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2788 12.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 12.4822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7338 12.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 11.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5035 12.7835 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 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 73 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 98104 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 133139 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 > LMISSP0505AR02 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C102H180N4O51 > 2277.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261109 > - > - > Active (generated by computational methods) > - $$$$