Mrv0541 02241203132D 151157 0 0 1 0 999 V2000 4.1014 -14.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -14.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -14.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -13.6048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 -13.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8159 -13.6048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5304 -13.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -12.3673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8159 -11.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 -12.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -11.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3870 -11.1298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6483 -10.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9097 -11.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -10.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -12.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -11.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4498 -11.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 -11.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3802 -12.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -14.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9815 -10.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9795 -10.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6931 -11.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2641 -11.3355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5506 -10.9214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5525 -10.0964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8390 -9.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1236 -10.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1217 -10.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8352 -11.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8333 -12.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1179 -12.5681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1159 -13.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -13.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5468 -12.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4344 -9.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -10.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -8.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -9.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2679 -9.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7705 -6.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -7.0367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5522 -7.6798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8507 -8.4488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6660 -8.5749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1828 -7.9318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8843 -7.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9981 -8.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -9.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6907 -7.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3269 -5.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0485 -6.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3369 -7.5583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8119 -8.1945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1002 -8.9674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9138 -9.1042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4390 -8.4679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1506 -7.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2526 -8.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2023 -9.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5750 -9.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2350 -6.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -9.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1285 -8.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -8.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 -8.3860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 -8.8011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5545 -9.6261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2675 -10.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9834 -9.6311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9863 -8.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -8.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 -7.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9921 -7.1561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9952 -6.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -5.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -7.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -7.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -9.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -8.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 -10.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9592 -10.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 -4.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 -5.3451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8382 -5.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3095 -5.8373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5937 -6.6119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4065 -6.7530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9352 -6.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -7.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -5.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -4.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8955 -3.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 -8.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 -8.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 -8.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 -2.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5131 -3.5135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7041 -3.3515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1594 -3.9711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4236 -4.7526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2325 -4.9146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7772 -4.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 -5.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3504 -3.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -2.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7937 -2.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9718 -9.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6815 -8.5882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4007 -8.9924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1104 -8.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8296 -8.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5393 -8.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2584 -8.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9681 -8.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6873 -8.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3969 -8.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1162 -8.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8259 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5451 -8.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2547 -8.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9740 -8.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6836 -8.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4028 -8.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4101 -9.8174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6720 -7.7632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1126 -8.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3902 -7.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6759 -7.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9613 -7.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2469 -7.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5323 -7.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8180 -7.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1034 -7.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3891 -7.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6745 -7.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9600 -7.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2457 -7.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5310 -7.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8167 -7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1021 -7.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3878 -7.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6732 -7.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9588 -7.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2442 -7.3495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5298 -7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8153 -7.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1009 -7.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3863 -7.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3860 -6.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 1 0 0 0 8 20 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 1 0 0 0 13 14 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 37 1 1 0 0 0 29 40 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 6 0 0 0 33 34 1 0 0 0 0 33 20 1 1 0 0 0 34 35 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 43 42 1 1 0 0 0 42 52 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 44 51 1 1 0 0 0 45 46 1 0 0 0 0 45 40 1 1 0 0 0 46 47 1 0 0 0 0 46 50 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 54 53 1 1 0 0 0 53 63 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 55 49 1 6 0 0 0 56 57 1 0 0 0 0 56 62 1 1 0 0 0 57 58 1 0 0 0 0 57 61 1 6 0 0 0 58 59 1 0 0 0 0 58 60 1 1 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 68 73 1 0 0 0 0 69 70 1 0 0 0 0 69 83 1 6 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 80 1 1 0 0 0 71 15 1 6 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 79 1 6 0 0 0 75 76 1 0 0 0 0 75 78 1 1 0 0 0 76 77 1 0 0 0 0 80 81 2 0 0 0 0 80 82 1 0 0 0 0 85 84 1 1 0 0 0 84 94 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 86 87 1 0 0 0 0 86 93 1 1 0 0 0 87 88 1 0 0 0 0 87 92 1 1 0 0 0 88 89 1 0 0 0 0 88 91 1 6 0 0 0 89 90 1 0 0 0 0 89 51 1 1 0 0 0 95 91 1 0 0 0 0 96 95 1 0 0 0 0 97 95 2 0 0 0 0 99 98 1 1 0 0 0 98108 1 0 0 0 0 99100 1 0 0 0 0 99104 1 0 0 0 0 100101 1 0 0 0 0 100107 1 1 0 0 0 101102 1 0 0 0 0 101106 1 1 0 0 0 102103 1 0 0 0 0 102105 1 6 0 0 0 103104 1 0 0 0 0 103 92 1 1 0 0 0 109 60 1 0 0 0 0 110109 1 0 0 0 0 111110 1 0 0 0 0 112111 1 0 0 0 0 113112 2 0 0 0 0 114113 1 0 0 0 0 115114 1 0 0 0 0 116115 1 0 0 0 0 117116 1 0 0 0 0 118117 1 0 0 0 0 119118 1 0 0 0 0 120119 1 0 0 0 0 121120 1 0 0 0 0 122121 1 0 0 0 0 123122 1 0 0 0 0 124123 1 0 0 0 0 125124 1 0 0 0 0 111126 1 1 0 0 0 110127 1 6 0 0 0 128125 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 2 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 150127 1 0 0 0 0 150151 2 0 0 0 0 M END > BMDB0012015 > 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)CCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C100H172N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-70(121)104-58(59(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)52-138-92-82(130)80(128)85(68(50-110)141-92)144-94-83(131)90(86(69(51-111)142-94)145-91-57(41-53(3)112)84(76(124)65(47-107)139-91)143-93-81(129)79(127)75(123)64(46-106)140-93)151-100(97(136)137)44-62(119)73(103-56(6)115)89(150-100)78(126)67(49-109)147-99(96(134)135)43-61(118)72(102-55(5)114)88(149-99)77(125)66(48-108)146-98(95(132)133)42-60(117)71(101-54(4)113)87(148-98)74(122)63(120)45-105/h21-22,37,39,57-69,71-94,105-111,116-120,122-131H,7-20,23-36,38,40-52H2,1-6H3,(H,101,113)(H,102,114)(H,103,115)(H,104,121)(H,132,133)(H,134,135)(H,136,137)/b22-21-,39-37+/t57-,58+,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,71-,72-,73-,74-,75+,76+,77-,78-,79+,80-,81-,82-,83-,84-,85-,86+,87?,88?,89?,90-,91+,92-,93+,94+,98-,99-,100+/m1/s1 > ZDXYPTWIOUNKFT-MEPXFHFISA-N > C100H172N4O47 > 2182.4343 > 2181.119188758 > 47 > 231.8928788214617 > 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]-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-[(13Z)-docos-13-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}-5-acetamido-4-hydroxyoxane-2-carboxylic acid > 1.12 > -0.39045659166666696 > -3.76 > 1 > 7 > -3 > 2.773637124236296 > 2.2577427197147157 > -3.9476121977780165 > 819.6500000000005 > 517.8953999999998 > 70 > 0 > 3.79e-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]-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R,4E)-2-[(13Z)-docos-13-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}-5-acetamido-4-hydroxyoxane-2-carboxylic acid > 0 > BMDB0012015 > Ganglioside GT1c (d18:1/22:1(13Z)) $$$$