70661749 -OEChem-05112419042D 94 96 0 1 0 0 0 0 0999 V2000 6.7380 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4028 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 14.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 10.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 14.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 10.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 10.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 10.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 13.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5512 10.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 10.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2172 14.2702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5675 11.7081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 7.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 12.7356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8316 12.7356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9656 13.2356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0995 11.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2056 13.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7255 13.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8316 11.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 11.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2056 11.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6316 12.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 12.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7255 11.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 11.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 14.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6316 11.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 13.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 14.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 14.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 11.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4354 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 12.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 11.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8719 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4700 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 6.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6040 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8719 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2021 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 12.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 13.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 13.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6717 13.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7489 14.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8994 14.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 13.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5025 14.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7010 10.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8993 14.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5556 13.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 15.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 15.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 14.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 14.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6294 15.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7851 15.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 10.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2473 9.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 13.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0423 11.3810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 11.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 12.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0845 9.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1274 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6409 5.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 5.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 5.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5671 3.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 3.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6409 3.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1409 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1409 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7390 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5121 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7991 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 7.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 2 94 1 0 0 0 0 19 3 1 1 0 0 0 3 59 1 0 0 0 0 20 4 1 1 0 0 0 4 60 1 0 0 0 0 22 5 1 6 0 0 0 5 61 1 0 0 0 0 6 24 2 0 0 0 0 7 25 1 0 0 0 0 7 69 1 0 0 0 0 8 28 1 0 0 0 0 8 70 1 0 0 0 0 9 27 2 0 0 0 0 10 35 1 0 0 0 0 10 75 1 0 0 0 0 11 36 2 0 0 0 0 12 39 1 0 0 0 0 12 46 1 0 0 0 0 13 46 2 0 0 0 0 21 14 1 1 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 15 73 1 0 0 0 0 15 74 1 0 0 0 0 16 47 1 0 0 0 0 16 92 1 0 0 0 0 16 93 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 53 1 1 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 25 29 2 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 29 36 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 35 1 0 0 0 0 32 37 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 38 2 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 44 48 1 0 0 0 0 44 84 1 0 0 0 0 45 49 2 0 0 0 0 45 85 1 0 0 0 0 46 47 1 0 0 0 0 47 51 1 0 0 0 0 47 86 1 0 0 0 0 48 50 2 0 0 0 0 48 87 1 0 0 0 0 49 50 1 0 0 0 0 49 88 1 0 0 0 0 51 89 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 M END > 70661749 > 1 > 1260 > 13 > 9 > 7 > AAADcfB/PAAGAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHgIQCAAADX7hmCYyDoNABgCIAqHSGAKCAAAgJQAIiIHOCsgLNz6LkzKHcAAn8BEJmQf+/veuhAABAAAYAADIAAYQADAAAAAAAAAAAA== > (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-(4-chlorophenyl)-1,1-dimethyl-ethyl] 2-aminopropanoate;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-aminopropanoic acid [1-(4-chlorophenyl)-2-methylpropan-2-yl] ester;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;[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate;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;[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate;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;[1-(4-chlorophenyl)-2-methyl-propan-2-yl] 2-azanylpropanoate;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-aminopropionic acid [2-(4-chlorophenyl)-1,1-dimethyl-ethyl] ester;hydrochloride > InChI=1S/C22H24N2O9.C13H18ClNO2.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;1-9(15)12(16)17-13(2,3)8-10-4-6-11(14)7-5-10;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);4-7,9H,8,15H2,1-3H3;1H/t12-,13-,14+,17+,21-,22+;;/m1../s1 > GOODOVMPFIBNIX-JEKSYDDFSA-N > 751.2274646 > C35H43Cl2N3O11 > 752.6 > CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N.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 > CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N.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 > 254 > 751.2274646 > 0 > 51 > 6 > 1 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 21 14 5 47 16 3 17 52 5 18 53 5 26 31 8 26 32 8 19 3 5 31 35 8 32 37 8 35 38 8 37 38 8 20 4 5 43 44 8 43 45 8 44 48 8 45 49 8 48 50 8 49 50 8 22 5 6 $$$$