69258287 -OEChem-04262413242D 65 67 0 1 0 0 0 0 0999 V2000 4.1953 0.6200 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 8.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 8.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 5.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 8.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 8.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 4.3718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 4.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.9339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 5.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0678 6.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9338 5.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 5.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 5.3718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 6.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 7.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 5.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 7.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 5.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 5.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 7.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 5.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 3.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 7.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 7.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 5.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 3.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 3.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 5.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 4.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 4.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 5.0565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 5.0566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 4.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 4.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 8.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 4.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 3.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 3.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 3.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 4.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 8.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 8.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 5.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 7.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 6.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 8.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0634 3.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9129 3.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6958 4.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 4.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1072 3.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9515 3.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8153 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 13 2 1 6 0 0 0 2 43 1 0 0 0 0 3 18 2 0 0 0 0 4 20 1 0 0 0 0 4 50 1 0 0 0 0 5 24 1 0 0 0 0 5 51 1 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 56 1 0 0 0 0 8 30 2 0 0 0 0 16 9 1 6 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 26 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 30 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 6 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 30 1 0 0 0 0 24 25 1 0 0 0 0 25 29 2 0 0 0 0 26 31 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 69258287 > 1 > 973 > 9 > 5 > 3 > AAADceB7OAAAAgAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAwCAAADWzBmAQyxoNAAgCIAqVSUAKCAAAhIgAIiAHObMgJJz7KkLOEcAhn4BFJ2Qe+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;iodomethane > (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;iodomethane > (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;iodomethane > (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;iodomethane > (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;iodanylmethane > (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;iodomethane > InChI=1S/C23H27N3O7.CH3I/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;1-2/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);1H3/t9-,11-,17-,23-;/m0./s1 > FFGIQJPWKFLXQG-VQAITOIOSA-N > 599.11285 > C24H30IN3O7 > 599.4 > CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.CI > 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.CI > 165 > 599.11285 > 0 > 35 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 36 6 15 39 6 13 2 6 22 25 8 22 26 8 25 29 8 26 31 8 29 32 8 31 32 8 16 9 6 $$$$