16079018 -OEChem-05052405542D 146151 0 1 0 0 0 0 0999 V2000 12.7489 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0164 4.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7595 3.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5517 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1188 8.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0361 0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 7.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 7.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1205 18.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 16.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8525 17.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 17.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9865 16.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3884 18.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5078 9.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3225 4.3836 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4019 5.3842 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5297 8.8740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4314 11.6073 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.8622 4.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2368 4.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5256 3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7765 4.6896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0653 3.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4771 5.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4399 3.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1988 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8346 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9002 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9859 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8085 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3530 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1655 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7385 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5354 8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2264 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0579 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1775 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3354 9.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7724 8.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3888 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5027 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 10.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0264 10.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 11.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4804 11.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0970 8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3607 10.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0323 10.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7259 9.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2237 12.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1623 11.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 11.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 9.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4655 7.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9227 12.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3364 10.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0173 9.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7405 13.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.3702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 9.8702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1205 17.9304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2544 17.4304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 9.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9865 17.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3884 17.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9741 4.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6079 4.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 6.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2359 6.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0464 2.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8004 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4512 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2163 1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3821 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3153 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1496 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3035 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5446 5.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9427 5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1614 6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7047 2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6262 1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3450 6.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2099 8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7839 9.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9739 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8496 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0878 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9175 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3115 9.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9416 11.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4513 11.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 8.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4479 11.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8739 11.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9681 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7034 8.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2259 8.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9515 10.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 12.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7604 12.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5486 11.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 8.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4979 6.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0846 7.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4330 7.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2374 11.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5034 12.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9230 11.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4115 9.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3501 13.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 14.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1308 13.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 9.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 10.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6574 18.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7175 17.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 11.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6574 19.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7175 16.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 9.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3895 17.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9855 17.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0448 9.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9709 9.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 6 0 0 0 1 48 1 0 0 0 0 30 2 1 6 0 0 0 2 93 1 0 0 0 0 3 40 1 0 0 0 0 3 53 1 0 0 0 0 4 40 2 0 0 0 0 5 46 1 0 0 0 0 5 58 1 0 0 0 0 6 48 2 0 0 0 0 7 51 1 0 0 0 0 7 66 1 0 0 0 0 8 51 2 0 0 0 0 71 9 1 1 0 0 0 9137 1 0 0 0 0 72 10 1 1 0 0 0 10138 1 0 0 0 0 73 11 1 1 0 0 0 11139 1 0 0 0 0 74 12 1 1 0 0 0 12140 1 0 0 0 0 13 75 1 0 0 0 0 13141 1 0 0 0 0 14 76 1 0 0 0 0 14142 1 0 0 0 0 15 77 1 0 0 0 0 15143 1 0 0 0 0 16 78 1 0 0 0 0 16144 1 0 0 0 0 17 75 2 0 0 0 0 18 76 2 0 0 0 0 19 77 2 0 0 0 0 20 78 2 0 0 0 0 21145 1 0 0 0 0 21146 1 0 0 0 0 22 27 1 0 0 0 0 22 34 1 0 0 0 0 22 38 1 0 0 0 0 23 29 1 0 0 0 0 23 36 1 0 0 0 0 23 42 1 0 0 0 0 24 50 1 0 0 0 0 24 61 1 0 0 0 0 24112 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 6 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 79 1 1 0 0 0 28 32 1 0 0 0 0 28 35 1 1 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 80 1 6 0 0 0 30 32 1 0 0 0 0 30 40 1 0 0 0 0 31 34 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 41 2 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 43 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 44 2 0 0 0 0 37 39 2 0 0 0 0 37 88 1 0 0 0 0 38 39 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 41 45 1 0 0 0 0 41 92 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44 46 1 0 0 0 0 44100 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 1 0 0 0 48 52 1 0 0 0 0 49 54 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 55 2 0 0 0 0 52103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 53106 1 0 0 0 0 53107 1 0 0 0 0 53108 1 0 0 0 0 54 56 1 0 0 0 0 54 59 1 0 0 0 0 54109 1 6 0 0 0 55 57 1 0 0 0 0 55 60 1 0 0 0 0 56110 1 0 0 0 0 56111 1 0 0 0 0 57113 1 0 0 0 0 57114 1 0 0 0 0 58115 1 0 0 0 0 58116 1 0 0 0 0 58117 1 0 0 0 0 59 63 2 0 0 0 0 59118 1 0 0 0 0 60 61 1 0 0 0 0 60 64 2 0 0 0 0 61 65 2 0 0 0 0 62 63 1 0 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 64121 1 0 0 0 0 65 69 1 0 0 0 0 65122 1 0 0 0 0 66123 1 0 0 0 0 66124 1 0 0 0 0 66125 1 0 0 0 0 67 70 1 0 0 0 0 67126 1 0 0 0 0 67127 1 0 0 0 0 68 69 2 0 0 0 0 68128 1 0 0 0 0 69129 1 0 0 0 0 70130 1 0 0 0 0 70131 1 0 0 0 0 70132 1 0 0 0 0 71 72 1 0 0 0 0 71 75 1 0 0 0 0 71133 1 0 0 0 0 72 76 1 0 0 0 0 72134 1 0 0 0 0 73 74 1 0 0 0 0 73 77 1 0 0 0 0 73135 1 0 0 0 0 74 78 1 0 0 0 0 74136 1 0 0 0 0 M END > 16079018 > 1 > 1820 > 24 > 11 > 16 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAWLFgAAwYMECAAAWAFiB9AAAHgAQCAAAD3zhngYyzvPJlgCoAyTyTAKCiCAhIiAImSF+bJgPNv7E9ZuGcChn8Bnb6Af72fOfqAACAgAKAABQgAYECBSgAAAAAAAAAA== > (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetoxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate > (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid methyl ester;(2R,3R)-2,3-dihydroxybutanedioic acid;hydrate > (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate > (2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate > (2R,3R)-2,3-bis(oxidanyl)butanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-5-methoxy-8-methyl-10-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;hydrate > (1R,9R,10S,11R,12R,19R)-11-acetoxy-4-[(12S,14R)-12-carbomethoxy-16-ethyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylic acid methyl ester;(2R,3R)-2,3-dihydroxysuccinic acid;hydrate > InChI=1S/C45H54N4O8.2C4H6O6.H2O/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10;/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10);1H2/t28-,37-,38+,39+,42+,43+,44-,45-;2*1-,2-;/m011./s1 > ZLIPKSVXTCRHIB-GNBHHJMASA-N > 1096.43760519 > C53H68N4O21 > 1097.1 > CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O > CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O > 365 > 1096.43760519 > 0 > 78 > 12 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 32 1 6 72 10 5 73 11 5 74 12 5 30 2 6 24 50 8 24 61 8 26 31 6 27 79 5 28 35 5 29 80 6 33 36 8 33 41 8 36 44 8 41 45 8 44 46 8 45 46 8 47 51 5 50 55 8 54 109 6 55 60 8 60 61 8 60 64 8 61 65 8 64 68 8 65 69 8 68 69 8 71 9 5 $$$$