25030661 -OEChem-05042408312D 126133 0 1 0 0 0 0 0999 V2000 12.7499 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0174 4.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7606 3.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5527 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1199 8.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0371 0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3181 7.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0420 7.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3235 4.3836 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4030 5.3842 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5307 8.8740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4325 11.6073 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.8632 4.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2378 4.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5266 3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7775 4.6896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0664 3.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4781 5.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4409 3.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1998 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0347 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8356 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1141 6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9012 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9869 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8095 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9110 7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3540 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7396 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5364 8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4507 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0590 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1785 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3364 9.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7734 8.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3898 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5037 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6325 10.2022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0274 10.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3235 11.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4814 11.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0980 8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3617 10.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0333 10.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 9.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2247 12.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1633 11.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3517 11.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7178 9.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4665 7.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9237 12.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 10.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0183 9.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7415 13.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.9614 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 7.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9751 4.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6090 4.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 6.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2370 6.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0474 2.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8015 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2174 1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3831 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0928 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3163 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1506 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5720 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3045 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4323 4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5456 5.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9437 5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1624 6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7058 2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6273 1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3460 6.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2109 8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7849 9.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9291 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8506 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0889 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9645 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9186 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1285 9.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9426 11.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4524 11.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1314 8.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4489 11.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8749 11.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9691 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7045 8.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2269 8.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9525 10.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5444 12.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7615 12.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 11.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 8.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4989 6.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0856 7.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 7.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2384 11.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5045 12.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9240 11.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 9.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3511 13.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6285 14.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1319 13.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 7.2714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 6 0 0 0 1 40 1 0 0 0 0 22 2 1 6 0 0 0 2 81 1 0 0 0 0 3 32 1 0 0 0 0 3 45 1 0 0 0 0 4 32 2 0 0 0 0 5 38 1 0 0 0 0 5 50 1 0 0 0 0 6 40 2 0 0 0 0 7 43 1 0 0 0 0 7 58 1 0 0 0 0 8 43 2 0 0 0 0 9 63 1 0 0 0 0 9124 1 0 0 0 0 10 65 1 0 0 0 0 10125 1 0 0 0 0 11 66 1 0 0 0 0 11126 1 0 0 0 0 12 65 2 0 0 0 0 13 66 2 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 15 34 1 0 0 0 0 16 42 1 0 0 0 0 16 53 1 0 0 0 0 16100 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 6 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 67 1 1 0 0 0 20 24 1 0 0 0 0 20 27 1 1 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 68 1 6 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 71 1 0 0 0 0 25 28 1 0 0 0 0 25 33 2 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 35 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 36 2 0 0 0 0 29 31 2 0 0 0 0 29 76 1 0 0 0 0 30 31 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 33 37 1 0 0 0 0 33 80 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 38 1 0 0 0 0 36 88 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 1 0 0 0 40 44 1 0 0 0 0 41 46 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 47 2 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 48 1 0 0 0 0 46 51 1 0 0 0 0 46 97 1 0 0 0 0 47 49 1 0 0 0 0 47 52 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 51 55 2 0 0 0 0 51106 1 0 0 0 0 52 53 1 0 0 0 0 52 56 2 0 0 0 0 53 57 2 0 0 0 0 54 55 1 0 0 0 0 54107 1 0 0 0 0 54108 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 56109 1 0 0 0 0 57 61 1 0 0 0 0 57110 1 0 0 0 0 58111 1 0 0 0 0 58112 1 0 0 0 0 58113 1 0 0 0 0 59 62 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 60 61 2 0 0 0 0 60116 1 0 0 0 0 61117 1 0 0 0 0 62118 1 0 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63121 1 0 0 0 0 64 66 1 0 0 0 0 64122 1 0 0 0 0 64123 1 0 0 0 0 M END > 25030661 > 1 > 1820 > 16 > 5 > 13 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFgAAwYMECAAAWAFiB9AAAHgAQCAAAD3zhngYyzvPJlgCoAyTyTAKCiCAhIiAImSF+bJgPNv7E9ZuGcChn8Bnb6Af72fOfqAACAgAKAABQgAYECBSgAAAAAAAAAA== > 2-hydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetoxy-12-ethyl-4-[(12S)-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 > (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-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;2-hydroxybutanedioic acid > 2-hydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-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 > 2-hydroxybutanedioic acid;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-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 > methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S)-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;2-oxidanylbutanedioic acid > (1R,9R,10S,11R,12R,19R)-11-acetoxy-4-[(12S)-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;malic acid > InChI=1S/C45H54N4O8.C4H6O5/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;5-2(4(8)9)1-3(6)7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2,5H,1H2,(H,6,7)(H,8,9)/t28?,37-,38+,39+,42+,43+,44-,45-;/m0./s1 > FCJBFFUGCSPPHF-BCZHLGEMSA-N > 912.41568798 > C49H60N4O13 > 913.0 > 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 > CCC1=CC2C[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(C(C(=O)O)O)C(=O)O > 229 > 912.41568798 > 0 > 66 > 7 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 24 1 6 16 42 8 16 53 8 18 23 6 19 67 5 22 2 6 20 27 5 21 68 6 25 28 8 25 33 8 28 36 8 33 37 8 36 38 8 37 38 8 39 43 5 46 41 3 42 47 8 47 52 8 52 53 8 52 56 8 53 57 8 56 60 8 57 61 8 60 61 8 63 9 3 $$$$