68858974 -OEChem-05082407322D 68 68 0 1 0 0 0 0 0999 V2000 0.0000 5.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 4.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 5.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 5.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 5.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 5.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 5.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 7.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 1.0864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 1.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 3.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 2.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1145 3.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9806 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8466 2.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2206 2.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8466 3.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 4.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 2.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2206 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 2.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 4.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5215 2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5215 3.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4264 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6944 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1211 1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 1.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3359 1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1341 1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 5.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 0.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6881 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 0.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6444 0.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4077 1.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 5.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2623 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 2.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 3.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 3.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5801 3.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0995 5.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1102 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9597 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3907 1.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1539 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 0.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 7.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 7.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 68 1 0 0 0 0 15 2 1 6 0 0 0 2 44 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 51 1 0 0 0 0 5 26 1 0 0 0 0 5 52 1 0 0 0 0 6 23 2 0 0 0 0 7 31 1 0 0 0 0 7 57 1 0 0 0 0 8 32 2 0 0 0 0 9 64 1 0 0 0 0 9 65 1 0 0 0 0 10 66 1 0 0 0 0 10 67 1 0 0 0 0 18 11 1 6 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 28 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 32 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 6 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 6 0 0 0 18 23 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 27 31 2 0 0 0 0 28 33 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 34 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 M END > 68858974 > 1 > 971 > 11 > 8 > 3 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADWzBmAQyxoNAAgCIAqVSUAKCAAAhIgAIiAHObMgJJz7KkLOEcAhn4BFJ2Qe+zvCugEABQAAaAADAgAaAADQAAAAAAAAAAA== > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dihydrate;hydrochloride > InChI=1S/C23H27N3O7.ClH.2H2O/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;;;/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H;2*1H2/t9-,11-,17-,23-;;;/m0.../s1 > ZVXJEMMCBXCUJO-ZMKIAWMISA-N > 529.1827073 > C23H32ClN3O9 > 530.0 > CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.O.O.Cl > CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.O.O.Cl > 167 > 529.1827073 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 18 11 6 14 37 6 17 40 6 15 2 6 24 27 8 24 28 8 27 31 8 28 33 8 31 34 8 33 34 8 $$$$