Mrv0541 02241202402D 173180 0 0 1 0 999 V2000 6.2782 -17.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -16.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8493 -17.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -15.8811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 -15.4686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9927 -15.8811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7071 -15.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7071 -14.6436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9927 -14.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2782 -14.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -14.2311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5637 -13.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8251 -12.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0864 -13.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 -12.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8493 -14.6436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9059 -13.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6265 -13.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -13.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -14.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 -16.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1582 -12.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1563 -13.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8699 -13.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4409 -13.6118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7274 -13.1977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7293 -12.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0158 -11.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3004 -12.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2985 -13.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 -13.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0101 -14.4335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2947 -14.8444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2927 -15.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0304 -16.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7236 -14.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6112 -12.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 -12.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4091 -11.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 -11.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4447 -11.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9473 -8.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -9.3129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7289 -9.9560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0275 -10.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8428 -10.8511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3596 -10.2080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0611 -9.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1749 -10.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 -11.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -9.8038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5036 -7.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 -9.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5137 -9.8345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9886 -10.4707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2770 -11.2437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0906 -11.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6158 -10.7441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3274 -9.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4294 -10.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3790 -12.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7518 -11.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4118 -8.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -11.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -11.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5922 -10.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0212 -10.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 -11.0773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7313 -11.9024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4443 -12.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 -11.9074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1631 -11.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4501 -10.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -9.8423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1689 -9.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1719 -8.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4348 -8.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -9.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -9.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -11.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3284 -11.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 -12.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 -12.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3564 -6.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 -7.6213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0149 -7.4802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4863 -8.1136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7705 -8.8881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5833 -9.0292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1119 -8.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -9.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6735 -7.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7307 -6.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0722 -6.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 -10.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1861 -10.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3388 -10.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 -5.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 -5.7897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8809 -5.6278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3362 -6.2473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6003 -7.0288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4093 -7.1909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9540 -6.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 -7.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -6.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 -4.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 -4.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9012 -5.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0456 -4.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 -4.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 -4.3474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4525 -4.8786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3081 -5.6908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9393 -6.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -5.9409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8594 -5.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 -4.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 -3.7852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1482 -3.5042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2975 -2.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6449 -2.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8008 -4.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -3.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9961 -6.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -6.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 -7.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -5.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1477 -11.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8584 -10.8675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5766 -11.2733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2873 -10.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0056 -11.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7162 -10.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4345 -11.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1452 -10.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8634 -11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5740 -10.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2924 -11.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0030 -10.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7213 -11.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4318 -10.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1502 -11.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8608 -10.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5791 -11.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -12.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8506 -10.0425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2898 -10.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9988 -9.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2835 -10.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5698 -9.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8546 -10.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1409 -9.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4256 -10.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7119 -9.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9967 -10.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2830 -9.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5685 -9.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8533 -10.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1395 -9.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4243 -10.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7106 -9.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9954 -10.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2817 -9.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5665 -10.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8527 -9.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1374 -10.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4237 -9.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7085 -10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9948 -9.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2796 -10.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5659 -9.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5673 -8.8063 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 109110 1 0 0 0 0 110111 2 0 0 0 0 110112 1 0 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 114115 1 0 0 0 0 114128 1 6 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116125 1 1 0 0 0 116106 1 6 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 6 0 0 0 120121 1 0 0 0 0 120123 1 1 0 0 0 121122 1 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 129 60 1 0 0 0 0 130129 1 0 0 0 0 131130 1 0 0 0 0 132131 1 0 0 0 0 133132 1 0 0 0 0 134133 1 0 0 0 0 135134 1 0 0 0 0 136135 1 0 0 0 0 137136 1 0 0 0 0 138137 1 0 0 0 0 139138 1 0 0 0 0 140139 1 0 0 0 0 141140 1 0 0 0 0 142141 1 0 0 0 0 143142 1 0 0 0 0 144143 1 0 0 0 0 145144 1 0 0 0 0 131146 1 1 0 0 0 130147 1 6 0 0 0 148145 1 0 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 2 0 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 172147 1 0 0 0 0 172173 2 0 0 0 0 M END > BMDB0011943 > 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@@]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](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)CCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C113H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-78(139)118-64(65(132)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)57-158-103-90(147)89(146)94(76(55-125)161-103)164-105-92(149)101(95(77(56-126)162-105)165-102-63(44-58(3)127)93(85(142)72(51-121)159-102)163-104-91(148)100(86(143)73(52-122)160-104)172-112(108(154)155)47-68(135)80(115-60(5)129)97(169-112)84(141)71(138)50-120)173-113(109(156)157)48-69(136)82(117-62(7)131)99(171-113)88(145)75(54-124)167-111(107(152)153)46-67(134)81(116-61(6)130)98(170-111)87(144)74(53-123)166-110(106(150)151)45-66(133)79(114-59(4)128)96(168-110)83(140)70(137)49-119/h22-23,63-77,79-105,119-126,132-138,140-149H,8-21,24-57H2,1-7H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,139)(H,150,151)(H,152,153)(H,154,155)(H,156,157)/b23-22-/t63-,64+,65-,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,79-,80-,81-,82-,83-,84-,85+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96?,97?,98?,99?,100+,101-,102+,103-,104+,105+,110-,111-,112+,113+/m1/s1 > BARLFLMGOSURDX-ILYRLRSYSA-N > C113H195N5O55 > 2503.7579 > 2502.261555475 > 55 > 265.3311057965177 > 0 > 34 > 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-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-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadecyl]oxy}-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 > 0.74 > -1.6975390116666684 > -3.53 > 1 > 8 > -4 > 2.6118510499809493 > 2.1619347183861306 > -3.9476120508047368 > 965.2000000000007 > 586.4060999999999 > 80 > 0 > 7.46e-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-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-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(15Z)-tetracos-15-enamido]octadecyl]oxy}-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 > BMDB0011943 > Ganglioside GQ1c (d18:0/24:1(15Z)) $$$$