54724013 -OEChem-03292406432D 65 65 0 1 0 0 0 0 0999 V2000 0.0000 5.0384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 4.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 0.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2305 4.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8894 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 0.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 7.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 10.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2321 4.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5825 1.8664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8466 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9806 3.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1145 1.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2206 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7405 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8466 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9806 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2206 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6466 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5215 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5215 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1211 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 2.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6867 3.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7638 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9144 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6972 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9143 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5706 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6881 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4077 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6444 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8001 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2623 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0573 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5801 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0995 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 7.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 7.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5889 10.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5151 10.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 65 1 0 0 0 0 17 2 1 1 0 0 0 2 44 1 0 0 0 0 18 3 1 1 0 0 0 3 45 1 0 0 0 0 20 4 1 6 0 0 0 4 46 1 0 0 0 0 5 22 2 0 0 0 0 6 23 1 0 0 0 0 6 54 1 0 0 0 0 7 26 1 0 0 0 0 7 55 1 0 0 0 0 8 25 2 0 0 0 0 9 33 1 0 0 0 0 9 60 1 0 0 0 0 10 34 2 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 19 13 1 1 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 1 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 23 27 2 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 34 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 33 1 0 0 0 0 30 35 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 36 2 0 0 0 0 35 36 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 M END > 54724013 > 1 > 1000 > 12 > 10 > 2 > AAADceB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (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;dihydrate;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;dihydrate;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;dihydrate;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;dihydrate;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;dihydrate;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;dihydrate;hydrochloride > InChI=1S/C22H24N2O9.ClH.2H2O/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;;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);1H;2*1H2/t12-,13-,14+,17+,21-,22+;;;/m1.../s1 > OVYOVUVEOFNAHW-QLIALXNNSA-N > 532.1459874 > C22H29ClN2O11 > 532.9 > 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.O.O.Cl > 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.O.O.Cl > 204 > 532.1459874 > 0 > 36 > 6 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 19 13 5 15 37 5 16 38 5 17 2 5 24 29 8 24 30 8 29 33 8 18 3 5 30 35 8 33 36 8 35 36 8 20 4 6 $$$$