67474464 -OEChem-05032419332D 65 69 0 1 0 0 0 0 0999 V2000 10.5194 -0.5124 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 3.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -0.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 3.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 3.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 3.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 -0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -0.4693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 2.0927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 2.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 0.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 0.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 2.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 1.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 2.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 2.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8105 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 -1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9272 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6475 -3.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9156 -3.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 -3.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 0.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 0.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 0.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 0.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 3.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -0.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -1.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -1.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -1.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 3.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 2.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 1.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 3.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1996 -2.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 -2.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 -3.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -3.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7686 -4.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 14 2 1 6 0 0 0 2 47 1 0 0 0 0 19 3 1 1 0 0 0 3 34 1 0 0 0 0 4 20 2 0 0 0 0 5 21 1 0 0 0 0 5 54 1 0 0 0 0 6 25 1 0 0 0 0 6 55 1 0 0 0 0 7 22 2 0 0 0 0 8 30 1 0 0 0 0 8 60 1 0 0 0 0 9 31 2 0 0 0 0 10 34 2 0 0 0 0 17 11 1 6 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 31 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 6 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 6 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 25 2 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 29 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 26 30 2 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 61 1 0 0 0 0 37 39 2 0 0 0 0 37 62 1 0 0 0 0 38 40 2 0 0 0 0 38 63 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 M END > 67474464 > 1 > 1190 > 10 > 5 > 5 > AAADceB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHgIQCAAADX7hmCYyDoNABgCIAqHSGAKCAAAkJQAIiAHOCsgJJz6LtzqGcQAn4BEJuYf+/v+ugCABIAAZAADAQAZAADIAAAAAAAAAAA== > [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] benzoate > benzoic acid [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] ester > [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] benzoate > [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] benzoate > [(5S,5aS,6aS,7S,10aR)-9-aminocarbonyl-4-chloranyl-7-(dimethylamino)-1,10,10a,12-tetrakis(oxidanyl)-8,11-bis(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] benzoate > benzoic acid [(5S,5aS,6aS,7S,10aR)-9-carbamoyl-4-chloro-7-(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-diketo-5a,6,6a,7-tetrahydro-5H-tetracen-5-yl] ester > InChI=1S/C28H25ClN2O9/c1-31(2)20-13-10-12-16(24(35)28(13,39)25(36)19(22(20)34)26(30)37)21(33)18-15(32)9-8-14(29)17(18)23(12)40-27(38)11-6-4-3-5-7-11/h3-9,12-13,20,23,32-33,36,39H,10H2,1-2H3,(H2,30,37)/t12-,13-,20-,23-,28-/m0/s1 > GUWKIFWMFSYWCI-WSQPRDLYSA-N > 2.9 > 568.1248581 > C28H25ClN2O9 > 569.0 > CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)OC(=O)C5=CC=CC=C5 > CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)OC(=O)C5=CC=CC=C5 > 188 > 568.1248581 > 0 > 40 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 11 6 13 41 6 16 44 6 14 2 6 23 26 8 23 29 8 26 30 8 29 32 8 19 3 5 30 33 8 32 33 8 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 $$$$