Mrv0541 02241203162D 155161 0 0 1 0 999 V2000 37.7571 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0425 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3281 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6136 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8991 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1846 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4701 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7556 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0412 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3266 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6122 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8977 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1832 -6.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4687 -6.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7881 -7.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5072 -7.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2170 -7.3080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9360 -7.7126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6460 -7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3651 -7.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0749 -7.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7940 -7.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5038 -7.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2228 -7.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9326 -7.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6518 -7.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3616 -7.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0806 -7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7906 -7.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5097 -7.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2195 -7.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9385 -7.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9452 -8.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2078 -6.4829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.6484 -7.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7817 -6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0672 -6.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3527 -6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6382 -6.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9237 -6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2092 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4947 -6.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7803 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0658 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3513 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6368 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9223 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9223 -5.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -13.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -13.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2079 -13.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9224 -12.3242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -11.9116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3513 -12.3242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0658 -11.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0658 -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 8.6369 -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 -9.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 -9.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7207 -9.2040 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 -10.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9852 -10.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -9.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -10.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3513 -13.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5169 -8.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5150 -9.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2285 -10.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7996 -10.0548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0861 -9.6407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0880 -8.8157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3745 -8.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6591 -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 12.3707 -10.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3688 -10.8765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6534 -11.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6514 -12.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3890 -12.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 -11.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 -8.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4232 -8.9997 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 -7.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8034 -8.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3060 -4.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6045 -5.7560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0876 -6.3991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3862 -7.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2015 -7.2942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7183 -6.6511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4198 -5.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5336 -6.7771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 -8.0633 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 12.8623 -4.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5840 -5.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8724 -6.2776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3473 -6.9138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6357 -7.6868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4493 -7.8235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9745 -7.1872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6861 -6.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7377 -8.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1105 -8.3230 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 5.6610 -8.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 -7.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -7.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -7.1053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 -7.5204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0900 -8.3454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8029 -8.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 -8.3504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5217 -7.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 -7.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8117 -6.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5276 -5.8754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5306 -5.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 -4.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1057 -6.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0986 -5.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4015 -8.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6871 -7.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8321 -8.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 -8.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7151 -3.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1865 -4.0644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3736 -3.9232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8450 -4.5566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1291 -5.3311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9420 -5.4723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4706 -4.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6005 -5.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0321 -4.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0894 -3.1487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4309 -2.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8846 -6.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 -7.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 -6.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5933 -1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 -2.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2396 -2.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6948 -2.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9590 -3.4719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7679 -3.6339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3127 -3.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 -4.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8859 -2.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -1.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 -0.8317 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 111112 1 0 0 0 0 112113 2 0 0 0 0 112114 1 0 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 116117 1 0 0 0 0 116130 1 6 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 118127 1 1 0 0 0 118 63 1 6 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 6 0 0 0 122123 1 0 0 0 0 122125 1 1 0 0 0 123124 1 0 0 0 0 127128 2 0 0 0 0 127129 1 0 0 0 0 132131 1 1 0 0 0 131141 1 0 0 0 0 132133 1 0 0 0 0 132137 1 0 0 0 0 133134 1 0 0 0 0 133140 1 1 0 0 0 134135 1 0 0 0 0 134139 1 1 0 0 0 135136 1 0 0 0 0 135138 1 6 0 0 0 136137 1 0 0 0 0 136 99 1 1 0 0 0 142138 1 0 0 0 0 143142 1 0 0 0 0 144142 2 0 0 0 0 146145 1 1 0 0 0 145155 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 147148 1 0 0 0 0 147154 1 1 0 0 0 148149 1 0 0 0 0 148153 1 1 0 0 0 149150 1 0 0 0 0 149152 1 6 0 0 0 150151 1 0 0 0 0 150139 1 1 0 0 0 M END > BMDB0012021 > 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@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](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(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(125)108-62(63(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)56-142-96-86(134)84(132)89(72(54-114)145-96)148-98-87(135)94(90(73(55-115)146-98)149-95-61(45-57(3)116)88(80(128)69(51-111)143-95)147-97-85(133)83(131)79(127)68(50-110)144-97)155-104(101(140)141)48-66(123)77(107-60(6)119)93(154-104)82(130)71(53-113)151-103(100(138)139)47-65(122)76(106-59(5)118)92(153-103)81(129)70(52-112)150-102(99(136)137)46-64(121)75(105-58(4)117)91(152-102)78(126)67(124)49-109/h21-22,41,43,61-73,75-98,109-115,120-124,126-135H,7-20,23-40,42,44-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(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 > VOYOERBQVMMBLE-CDZHRIPTSA-N > C104H180N4O47 > 2238.5406 > 2237.181789014 > 47 > 240.83022457426273 > 0 > 29 > 0 > 0 > (2S,4S,5R)-6-[(1S,2R)-2-{[(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}-1,3-dihydroxypropyl]-5-acetamido-2-{[(2S,3R,4R,5S,6R)-2-{[(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}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxyoxane-2-carboxylic acid > 1.55 > 1.3878180683333314 > -4.12 > 1 > 7 > -3 > 2.773637124236296 > 2.2577427197147157 > -3.9476121977780165 > 819.6500000000005 > 536.2994 > 74 > 0 > 1.71e-01 g/l > (2S,4S,5R)-6-[(1S,2R)-2-{[(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}-1,3-dihydroxypropyl]-5-acetamido-2-{[(2S,3R,4R,5S,6R)-2-{[(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}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxyoxane-2-carboxylic acid > 0 > BMDB0012021 > Ganglioside GT1c (d18:1/26:1(17Z)) $$$$