54742565 -OEChem-05082409502D 98100 0 1 0 0 0 0 0999 V2000 0.0000 7.3262 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 4.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 0.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 4.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 0.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 11.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2172 4.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 1.8664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 13.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 11.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8316 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9656 3.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0995 1.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2056 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7255 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8316 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2056 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6316 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6316 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 12.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 14.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7691 12.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 11.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 10.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7691 14.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 13.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 9.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 9.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 8.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 8.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 10.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 10.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 8.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1061 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 2.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5025 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 3.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7489 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8994 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5025 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8993 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5556 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6294 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7851 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2473 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0845 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 13.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4264 12.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 14.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 14.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3705 12.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1676 12.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 11.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0791 14.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3060 14.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4591 15.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9451 12.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1720 13.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3251 13.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 8.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7680 8.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 9.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 10.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 10.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7489 10.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 10.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1289 9.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 7.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 7.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 98 1 0 0 0 0 18 2 1 1 0 0 0 2 59 1 0 0 0 0 19 3 1 1 0 0 0 3 60 1 0 0 0 0 21 4 1 6 0 0 0 4 61 1 0 0 0 0 5 23 2 0 0 0 0 6 24 1 0 0 0 0 6 69 1 0 0 0 0 7 27 1 0 0 0 0 7 70 1 0 0 0 0 8 26 2 0 0 0 0 9 34 1 0 0 0 0 9 75 1 0 0 0 0 10 35 2 0 0 0 0 11 41 2 0 0 0 0 20 12 1 1 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 35 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 82 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 52 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 53 1 1 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 55 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 24 28 2 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 31 36 2 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 37 2 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 43 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 44 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 42 45 2 0 0 0 0 42 46 1 0 0 0 0 43 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 46 48 2 0 0 0 0 46 50 1 0 0 0 0 47 51 2 0 0 0 0 47 89 1 0 0 0 0 48 51 1 0 0 0 0 48 90 1 0 0 0 0 49 91 1 0 0 0 0 49 92 1 0 0 0 0 49 93 1 0 0 0 0 50 94 1 0 0 0 0 50 95 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 M END > 54742565 > 1 > 1230 > 12 > 9 > 7 > AAADcfB/vAAEAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHgAQCAAADXzhmAYyxoPAAgCIAqVSUAKCAAAhIAAIiAHOTMgJdz7KkbOUcAhn9BHJ2Qf+/veugAADAAAaAADAAAYQADQAAAAAAAAAAA== > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide;hydrochloride > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride > InChI=1S/C22H24N2O9.C14H22N2O.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);7-9H,5-6,10H2,1-4H3,(H,15,17);1H/t12-,13-,14+,17+,21-,22+;;/m1../s1 > ZEWFPNNKSDJWLR-JEKSYDDFSA-N > 730.2980714 > C36H47ClN4O10 > 731.2 > CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl > CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl > 234 > 730.2980714 > 0 > 51 > 6 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 20 12 5 16 52 5 17 53 5 18 2 5 25 30 8 25 31 8 19 3 5 30 34 8 31 36 8 34 37 8 36 37 8 21 4 6 42 45 8 42 46 8 45 47 8 46 48 8 47 51 8 48 51 8 $$$$