Mrv0541 02241203032D 155161 0 0 1 0 999 V2000 37.7568 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0423 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3279 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6133 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8989 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1843 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4699 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7554 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0410 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3264 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6120 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8975 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1830 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4685 -6.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7880 -7.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5070 -7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2169 -7.3079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9359 -7.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6458 -7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3650 -7.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 -7.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7938 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5037 -7.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2227 -7.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9325 -7.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6516 -7.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3614 -7.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0805 -7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7904 -7.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5095 -7.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2193 -7.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9383 -7.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9451 -8.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2077 -6.4829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.6483 -7.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7815 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0670 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3525 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6380 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9236 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2090 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4946 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7801 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0656 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3512 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6367 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9222 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9222 -5.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 -13.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -13.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2079 -13.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -12.3241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 -11.9116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3513 -12.3241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0657 -11.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0657 -11.0866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3513 -10.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6368 -11.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -10.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9224 -9.8491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1837 -9.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -9.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -9.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2079 -11.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2646 -10.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9852 -10.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 -9.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9156 -10.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3513 -13.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5168 -8.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 -9.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2284 -10.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 -10.0548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0860 -9.6407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0879 -8.8157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3744 -8.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6590 -8.8124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6571 -9.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3706 -10.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3687 -10.8765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6533 -11.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6513 -12.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3890 -12.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0822 -11.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 -8.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4231 -8.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7677 -7.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7584 -7.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8033 -8.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3059 -4.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -5.7560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0876 -6.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3861 -7.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2014 -7.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7182 -6.6511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4197 -5.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5335 -6.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4999 -8.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2261 -6.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8622 -4.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5839 -5.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8723 -6.2776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3472 -6.9137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6356 -7.6867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4492 -7.8234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9743 -7.1871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6860 -6.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7376 -8.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1104 -8.3229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7704 -5.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4603 -3.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9906 -4.0768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1684 -4.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6988 -4.6874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0513 -5.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8736 -5.5009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3432 -4.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 -6.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8765 -4.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8158 -3.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 -2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7601 -5.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2764 -6.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4231 -5.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -1.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 -2.4504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8132 -2.3848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3453 -3.0642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6997 -3.8092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5221 -3.8748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9901 -3.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2317 -4.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 -3.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4589 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 -1.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -5.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -5.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -5.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -4.5431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -4.1306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8691 -4.5431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5836 -4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -3.3056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8691 -2.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -3.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -2.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4402 -2.0681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7015 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -2.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -3.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9017 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 -2.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -5.3681 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 18 33 1 1 0 0 0 17 34 1 6 0 0 0 35 32 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 34 1 0 0 0 0 47 48 2 0 0 0 0 14 36 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 53 52 1 1 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 54 69 1 6 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 65 1 1 0 0 0 56 68 1 6 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 6 0 0 0 60 61 1 0 0 0 0 60 63 1 1 0 0 0 61 62 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 71 73 1 0 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 74 79 1 0 0 0 0 75 76 1 0 0 0 0 75 89 1 6 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 85 1 1 0 0 0 77 88 1 6 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 84 1 6 0 0 0 81 82 1 0 0 0 0 81 68 1 1 0 0 0 82 83 1 0 0 0 0 85 86 2 0 0 0 0 85 87 1 0 0 0 0 91 90 1 1 0 0 0 90100 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 92 93 1 0 0 0 0 92 99 1 1 0 0 0 93 94 1 0 0 0 0 93 88 1 1 0 0 0 94 95 1 0 0 0 0 94 98 1 6 0 0 0 95 96 1 0 0 0 0 95 97 1 1 0 0 0 102101 1 1 0 0 0 101110 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 103104 1 0 0 0 0 103 97 1 6 0 0 0 104105 1 0 0 0 0 104109 1 1 0 0 0 105106 1 0 0 0 0 105108 1 6 0 0 0 106107 1 0 0 0 0 106 15 1 1 0 0 0 112111 1 1 0 0 0 111121 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 113114 1 0 0 0 0 113120 1 1 0 0 0 114115 1 0 0 0 0 114119 1 1 0 0 0 115116 1 0 0 0 0 115118 1 6 0 0 0 116117 1 0 0 0 0 116 99 1 1 0 0 0 122118 1 0 0 0 0 123122 1 0 0 0 0 124122 2 0 0 0 0 126125 1 1 0 0 0 125135 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 127128 1 0 0 0 0 127134 1 1 0 0 0 128129 1 0 0 0 0 128133 1 1 0 0 0 129130 1 0 0 0 0 129132 1 6 0 0 0 130131 1 0 0 0 0 130119 1 1 0 0 0 136137 1 0 0 0 0 137138 2 0 0 0 0 137139 1 0 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 140145 1 0 0 0 0 141142 1 0 0 0 0 141155 1 6 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143152 1 1 0 0 0 143133 1 6 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 6 0 0 0 147148 1 0 0 0 0 147150 1 1 0 0 0 148149 1 0 0 0 0 152153 2 0 0 0 0 152154 1 0 0 0 0 M END > BMDB0011991 > bmdb > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3CC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C104H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(126)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-84(133)83(132)88(72(54-114)145-96)148-98-86(135)94(155-104(101(140)141)48-66(123)77(107-60(6)119)92(153-104)82(131)71(53-113)150-102(99(136)137)46-64(121)75(105-58(4)117)90(151-102)78(127)67(124)49-109)89(73(55-115)146-98)149-95-61(45-57(3)116)87(80(129)69(51-111)143-95)147-97-85(134)93(81(130)70(52-112)144-97)154-103(100(138)139)47-65(122)76(106-59(5)118)91(152-103)79(128)68(125)50-110/h21-22,41,43,61-73,75-98,109-115,120-125,127-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,126)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t61-,62+,63-,64+,65+,66+,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-,79-,80+,81+,82-,83-,84-,85-,86-,87-,88-,89+,90?,91?,92?,93+,94-,95+,96-,97+,98+,102-,103+,104+/m1/s1 > FWSLPIRUQOOPBO-FQLLHZBDSA-N > C104H180N4O47 > 2238.5406 > 2237.181789014 > 47 > 240.7813521568649 > 0 > 29 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 1.58 > 1.3878180683333314 > -4.04 > 1 > 7 > -3 > 2.818398623336933 > 2.31429534512401 > -3.9476121977780165 > 819.6500000000005 > 536.2993999999999 > 74 > 0 > 2.07e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyoctadec-4-en-1-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0011991 > Ganglioside GT1b (d18:1/26:1(17Z)) $$$$