Mrv0541 02241203102D 155161 0 0 1 0 999 V2000 38.2148 -7.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4999 -7.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7858 -7.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0709 -7.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3568 -7.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6419 -7.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9278 -7.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2130 -7.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4989 -7.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7844 -7.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0696 -7.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3555 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6406 -7.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9264 -7.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2448 -8.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9636 -8.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6738 -8.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3924 -8.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1027 -8.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8215 -8.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5317 -8.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2504 -8.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9606 -8.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6793 -8.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3895 -8.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1082 -8.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8184 -8.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5371 -8.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2474 -8.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9661 -8.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6762 -8.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3950 -8.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4009 -9.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6653 -7.5690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1052 -8.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2391 -7.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5249 -7.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8101 -7.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0960 -7.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3812 -7.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6669 -7.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9522 -7.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2380 -7.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5232 -7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8091 -7.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0942 -7.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3801 -7.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3808 -6.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 -14.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -14.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 -14.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -13.4090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 -12.9965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8081 -13.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5226 -12.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5226 -12.1715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8081 -11.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 -12.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 -11.7590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3792 -10.9340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6406 -10.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 -10.9340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1775 -10.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 -12.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7214 -11.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 -11.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 -10.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3725 -11.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8081 -14.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9737 -9.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9718 -10.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6853 -11.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2564 -11.1397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5428 -10.7256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5448 -9.9006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8312 -9.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1158 -9.8973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1139 -10.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8274 -11.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8255 -11.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1101 -12.3723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1081 -13.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8458 -13.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 -12.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4266 -9.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8800 -10.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2245 -8.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2152 -8.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2602 -9.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7627 -6.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0612 -6.8409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5444 -7.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8430 -8.2530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6583 -8.3791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1751 -7.7360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8766 -6.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -7.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9568 -9.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6829 -7.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3191 -5.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0407 -6.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3292 -7.3625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8041 -7.9987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0925 -8.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9060 -8.9084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4312 -8.2721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1428 -7.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1945 -9.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5673 -9.4079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2272 -6.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 -9.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1208 -8.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4077 -8.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8366 -8.1903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 -8.6053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5468 -9.4303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2597 -9.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9756 -9.4353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9785 -8.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2656 -8.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 -7.3704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9844 -6.9603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9874 -6.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2502 -5.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -7.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 -6.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -9.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1439 -8.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2889 -9.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9514 -9.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1719 -4.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6432 -5.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8304 -5.0082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3018 -5.6416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5859 -6.4161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3988 -6.5573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9274 -5.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 -7.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4889 -5.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 -4.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8877 -3.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 -7.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0016 -8.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 -7.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0501 -2.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5053 -3.3177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6964 -3.1558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1516 -3.7753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4158 -4.5569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2247 -4.7189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7695 -4.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -5.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3427 -3.6134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4322 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7859 -1.9167 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 1 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 > BMDB0012006 > bmdb > CCCCCCCCCCCCCCC[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/C104H182N4O47/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/h21-22,61-73,75-98,109-115,120-124,126-135H,7-20,23-56H2,1-6H3,(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-/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 > KEYCKIGVOLAROR-GQBOFTFESA-N > C104H182N4O47 > 2240.5565 > 2239.197439078 > 47 > 242.27914580191717 > 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)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyoctadecyl]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 > 1.46 > 1.593832265000001 > -4.05 > 1 > 7 > -3 > 2.773637124236296 > 2.257742719714716 > -3.9476120508047368 > 819.6500000000005 > 535.3368 > 75 > 0 > 2.00e-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)-2-[(17Z)-hexacos-17-enamido]-3-hydroxyoctadecyl]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 > BMDB0012006 > Ganglioside GT1c (d18:0/26:1(17Z)) $$$$