71296870 -OEChem-04252400572D 127134 0 1 0 0 0 0 0999 V2000 12.7498 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0173 4.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7604 3.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5526 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1198 8.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3180 7.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0419 7.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3234 4.3836 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4029 5.3842 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5306 8.8740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 11.6073 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.8631 4.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2377 4.1893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5265 3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7774 4.6896 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.0662 3.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4780 5.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 3.1060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1997 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0345 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8355 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1140 6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9011 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6979 3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8094 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9109 7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3539 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1664 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7395 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5363 8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4506 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2273 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0588 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1784 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3363 9.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7733 8.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3897 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5036 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6324 10.2022 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0273 10.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3233 11.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 11.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0979 8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 10.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0332 10.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7268 9.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2246 12.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1632 11.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3516 11.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7176 9.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4664 7.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9236 12.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 10.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0182 9.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 13.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.3064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 6.8064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 6.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8228 3.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3839 4.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 6.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2368 6.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0473 2.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2172 1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3830 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0927 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1505 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3044 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4322 4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5455 5.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9436 5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1623 6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6272 1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3459 6.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2108 8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7848 9.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9290 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8505 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0887 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9643 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9185 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1284 9.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9425 11.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4522 11.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1313 8.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4488 11.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 11.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9690 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7044 8.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2268 8.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9524 10.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5443 12.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7613 12.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5495 11.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5334 8.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4988 6.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0855 7.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4339 7.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2383 11.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5043 12.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9239 11.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4124 9.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3510 13.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6284 14.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1317 13.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 8.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 23 2 1 6 0 0 0 2 82 1 0 0 0 0 3 33 1 0 0 0 0 3 46 1 0 0 0 0 4 33 2 0 0 0 0 5 39 1 0 0 0 0 5 51 1 0 0 0 0 6 41 2 0 0 0 0 7 44 1 0 0 0 0 7 59 1 0 0 0 0 8 44 2 0 0 0 0 9 64 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 67 1 0 0 0 0 12127 1 0 0 0 0 13 66 2 0 0 0 0 14 67 2 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 16 35 1 0 0 0 0 17 43 1 0 0 0 0 17 54 1 0 0 0 0 17101 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 6 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 68 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 1 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 69 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 27 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 26 29 1 0 0 0 0 26 34 2 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 36 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 37 2 0 0 0 0 30 32 2 0 0 0 0 30 77 1 0 0 0 0 31 32 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 34 38 1 0 0 0 0 34 81 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 39 1 0 0 0 0 37 89 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 1 0 0 0 41 45 1 0 0 0 0 42 47 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 43 48 2 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 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 47 98 1 0 0 0 0 48 50 1 0 0 0 0 48 53 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 50102 1 0 0 0 0 50103 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52 56 2 0 0 0 0 52107 1 0 0 0 0 53 54 1 0 0 0 0 53 57 2 0 0 0 0 54 58 2 0 0 0 0 55 56 1 0 0 0 0 55108 1 0 0 0 0 55109 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 57110 1 0 0 0 0 58 62 1 0 0 0 0 58111 1 0 0 0 0 59112 1 0 0 0 0 59113 1 0 0 0 0 59114 1 0 0 0 0 60 63 1 0 0 0 0 60115 1 0 0 0 0 60116 1 0 0 0 0 61 62 2 0 0 0 0 61117 1 0 0 0 0 62118 1 0 0 0 0 63119 1 0 0 0 0 63120 1 0 0 0 0 63121 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64122 1 0 0 0 0 65 67 1 0 0 0 0 65123 1 0 0 0 0 M END > 71296870 > 1 > 1820 > 17 > 6 > 13 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAWLFgAAwYMECAAAWAFiB9AAAHgAQCAAAD3zhngYyzvPJlgCoAyTyTAKCiCAhIiAImSF+bJgPNv7E9ZuGcChn8Bnb6Af72fOfqAACAgAKAABQgAYECBSgAAAAAAAAAA== > 2,3-dihydroxybutanedioic acid;methyl (1R,10S,12R)-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,10S,12R)-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;2,3-dihydroxybutanedioic acid > 2,3-dihydroxybutanedioic acid;methyl (1R,10S,12R)-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 > 2,3-dihydroxybutanedioic acid;methyl (1R,10S,12R)-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 > 2,3-bis(oxidanyl)butanedioic acid;methyl (1R,10S,12R)-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 > (1R,10S,12R)-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;tartaric acid > InChI=1S/C45H54N4O8.C4H6O6/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;5-1(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;1-2,5-6H,(H,7,8)(H,9,10)/t28?,37?,38?,39?,42-,43-,44+,45+;/m1./s1 > UUHYRRXICWUZHW-VOVAHNKZSA-N > 928.41060260 > C49H60N4O14 > 929.0 > 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)O > CCC1=CC2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9C7[C@@](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 > 249 > 928.41060260 > 0 > 67 > 4 > 6 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 25 1 3 65 10 3 20 15 3 22 16 3 17 43 8 17 54 8 19 24 6 23 2 6 21 28 5 26 29 8 26 34 8 29 37 8 34 38 8 37 39 8 38 39 8 40 44 5 47 42 3 43 48 8 48 53 8 53 54 8 53 57 8 54 58 8 57 61 8 58 62 8 61 62 8 64 9 3 $$$$