6476796 -OEChem-04192403002D 153159 0 1 0 0 0 0 0999 V2000 6.6319 5.7078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3453 12.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 13.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 15.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 11.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 18.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 16.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 11.8573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3253 15.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 13.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8486 18.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 13.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7088 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 8.3814 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3586 7.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 15.8935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 16.6983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8768 15.0888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8657 17.4610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2499 5.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 7.4679 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2932 15.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 15.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 16.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 15.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 16.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 16.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8230 15.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 16.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 14.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 17.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 15.2152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6890 16.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 15.5502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7466 14.2317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4425 16.5337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5551 15.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 13.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 13.6642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5551 16.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 17.3571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5710 13.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3146 12.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6092 17.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1003 17.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 14.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 13.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 12.6807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2780 14.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 13.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 17.2773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5521 16.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5693 13.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6931 12.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5813 11.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3410 13.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 16.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 18.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9454 18.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3416 11.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 12.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 19.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 18.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1385 18.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 10.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 11.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3312 20.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7088 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7088 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9409 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 6.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 14.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 14.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 16.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6855 17.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 14.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 14.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 17.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 16.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6842 17.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 15.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 15.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4914 16.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 15.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 14.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1567 14.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8714 16.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 14.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 17.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 17.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 18.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 18.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 18.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 17.8169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 16.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 12.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8428 14.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 14.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7131 14.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 16.6963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8343 17.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 17.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 16.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 17.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 13.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 13.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 14.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 15.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 12.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 11.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7467 10.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1789 11.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 16.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 15.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 16.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0331 12.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 13.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 13.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 18.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4633 18.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 11.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8657 15.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8372 17.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 19.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0528 10.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 10.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 11.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6761 11.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 11.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 11.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 19.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4609 20.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 20.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3053 7.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 78 1 0 0 0 0 1 80 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 38 3 1 1 0 0 0 3 64 1 0 0 0 0 37 4 1 6 0 0 0 4119 1 0 0 0 0 5 46 1 0 0 0 0 5 63 1 0 0 0 0 44 6 1 1 0 0 0 6131 1 0 0 0 0 7 43 2 0 0 0 0 51 8 1 6 0 0 0 8 68 1 0 0 0 0 9 49 1 0 0 0 0 9133 1 0 0 0 0 10 50 2 0 0 0 0 11 62 2 0 0 0 0 12 64 2 0 0 0 0 13 72 1 0 0 0 0 13 79 1 0 0 0 0 14 75 2 0 0 0 0 15 79 2 0 0 0 0 16 24 1 0 0 0 0 17 24 2 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 19 91 1 0 0 0 0 20 25 1 0 0 0 0 20 31 2 0 0 0 0 21 36 1 0 0 0 0 21 62 1 0 0 0 0 21115 1 0 0 0 0 22 75 1 0 0 0 0 22 78 1 0 0 0 0 22149 1 0 0 0 0 23 78 2 0 0 0 0 23 81 1 0 0 0 0 24 80 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 29 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 31 1 0 0 0 0 30 36 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 40 2 0 0 0 0 33 41 1 0 0 0 0 34 47 1 0 0 0 0 34 48 1 0 0 0 0 34 94 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 35 52 1 1 0 0 0 35 95 1 0 0 0 0 36 43 1 0 0 0 0 37 39 1 0 0 0 0 37 96 1 0 0 0 0 38 42 1 0 0 0 0 38 97 1 0 0 0 0 39 44 1 0 0 0 0 39 55 1 6 0 0 0 39 98 1 0 0 0 0 40 43 1 0 0 0 0 40 49 1 0 0 0 0 41 45 2 0 0 0 0 41 50 1 0 0 0 0 42 51 1 0 0 0 0 42 56 1 6 0 0 0 42 99 1 0 0 0 0 44 54 1 0 0 0 0 44100 1 0 0 0 0 45 53 1 0 0 0 0 46 50 1 0 0 0 0 46 58 1 1 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49 53 2 0 0 0 0 51 57 1 0 0 0 0 51107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 6 0 0 0 54 61 1 0 0 0 0 54111 1 0 0 0 0 55112 1 0 0 0 0 55113 1 0 0 0 0 55114 1 0 0 0 0 56116 1 0 0 0 0 56117 1 0 0 0 0 56118 1 0 0 0 0 57 63 2 0 0 0 0 57120 1 0 0 0 0 58121 1 0 0 0 0 58122 1 0 0 0 0 58123 1 0 0 0 0 59127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 60124 1 0 0 0 0 60125 1 0 0 0 0 60126 1 0 0 0 0 61 66 2 0 0 0 0 61130 1 0 0 0 0 62 65 1 0 0 0 0 63132 1 0 0 0 0 64 69 1 0 0 0 0 65 67 2 0 0 0 0 65 70 1 0 0 0 0 66 67 1 0 0 0 0 66134 1 0 0 0 0 67135 1 0 0 0 0 68136 1 0 0 0 0 68137 1 0 0 0 0 68138 1 0 0 0 0 69139 1 0 0 0 0 69140 1 0 0 0 0 69141 1 0 0 0 0 70142 1 0 0 0 0 70143 1 0 0 0 0 70144 1 0 0 0 0 71 72 1 0 0 0 0 71 73 2 0 0 0 0 71 75 1 0 0 0 0 72 74 2 0 0 0 0 73 76 1 0 0 0 0 73145 1 0 0 0 0 74 77 1 0 0 0 0 74146 1 0 0 0 0 76 77 2 0 0 0 0 76147 1 0 0 0 0 77148 1 0 0 0 0 79 82 1 0 0 0 0 80 81 2 0 0 0 0 81150 1 0 0 0 0 82151 1 0 0 0 0 82152 1 0 0 0 0 82153 1 0 0 0 0 M CHG 2 16 -1 24 1 M END > 6476796 > 1 > 2290 > 21 > 6 > 9 > AAADcfB/vgBAAAAAAAAAAAAAAAAAAWJEAAA8YIEAAAAAAEAB0AAAHgQUCAAADRzh2gY/n5PYVgitA7X3fwKC+Kl1OjlpyA3uPNqcdzaG/T+2e2jv9ZeMuef4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-1'-isobutyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > acetic acid [2-[[(5-nitro-2-thiazolyl)amino]-oxomethyl]phenyl] ester;acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-13-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]yl] ester > [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-2,15,17-tris(oxidanyl)-6,23,32-tris(oxidanylidene)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ethanoate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] ethanoate > acetic acid [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] ester;acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-1'-isobutyl-6,23,32-triketo-11-methoxy-3,7,12,14,16,18,22-heptamethyl-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ester > InChI=1S/C46H62N4O11.C12H9N3O5S/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57);2-6H,1H3,(H,13,14,17)/b13-12+,20-15+,24-14-;/t23-,25+,26+,27+,30-,37-,38+,41+,45-;/m0./s1 > CUYPRVRWOANZBC-NJTFUPERSA-N > 1153.46780038 > C58H71N7O16S > 1154.3 > CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)C(O6)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C.CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] > C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)[C@](O6)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C.CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-] > 348 > 1153.46780038 > 0 > 82 > 9 > 0 > 3 > 0 > 0 > 2 > -1 > 1 5 255 > 1 78 8 1 80 8 23 78 8 23 81 8 38 3 5 33 40 8 33 41 8 35 52 5 39 55 6 37 4 6 40 49 8 41 45 8 42 56 6 45 53 8 46 58 5 49 53 8 54 60 6 44 6 5 71 72 8 71 73 8 72 74 8 73 76 8 74 77 8 76 77 8 51 8 6 80 81 8 $$$$