69341879 -OEChem-05032423122D 65 66 0 1 0 0 0 0 0999 V2000 4.5053 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 7.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 7.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 7.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 4.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 7.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 7.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 3.6017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 5.1794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 6.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9338 4.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 5.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 4.6447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 6.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 4.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 6.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 3.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 3.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 3.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 4.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 4.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 4.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 4.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 4.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 7.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 3.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 2.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 2.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 3.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 7.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 8.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 4.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 5.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 8.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 2.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9129 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6958 3.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 3.6522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1072 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9515 2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 65 1 0 0 0 0 14 2 1 6 0 0 0 2 43 1 0 0 0 0 3 19 2 0 0 0 0 4 21 1 0 0 0 0 4 50 1 0 0 0 0 5 25 1 0 0 0 0 5 51 1 0 0 0 0 6 22 2 0 0 0 0 7 30 1 0 0 0 0 7 56 1 0 0 0 0 8 31 2 0 0 0 0 9 63 1 0 0 0 0 9 64 1 0 0 0 0 17 10 1 6 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 27 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 31 1 0 0 0 0 12 54 1 0 0 0 0 12 55 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 36 1 1 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 6 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 20 42 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 27 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 32 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 33 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > 69341879 > 1 > 971 > 10 > 7 > 3 > AAADceB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADWzBmAQyxoNAAgCIAqVSUAKCAAAhIgAIiAHObMgJJz7KkLOEcAhn4BFJ2Qe+zvCugEABQAAaAADAgAaAADQAAAAAAAAAAA== > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate;hydrochloride > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate;hydrochloride > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate;hydrochloride > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate;hydrochloride > (4S,4aR,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;hydrate;hydrochloride > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrate;hydrochloride > InChI=1S/C23H27N3O7.ClH.H2O/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;1H2/t9-,11+,17-,23-;;/m0../s1 > SPYUMTMVZNPQJZ-PVROASCYSA-N > 511.1721426 > C23H30ClN3O8 > 512.0 > 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.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.Cl > 166 > 511.1721426 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 10 6 13 36 5 16 39 6 14 2 6 23 26 8 23 27 8 26 30 8 27 32 8 30 33 8 32 33 8 $$$$