54724350 -OEChem-05052414402D 61 62 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 4.5053 2.5584 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 9.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 9.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 5.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 5.4761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 8.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 5.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 5.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 9.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.9832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 8.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 8.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 8.5107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 7.0107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 8.5454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 8.5454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 7.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 6.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 8.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 8.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 6.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 9.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 8.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 10.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 10.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 6.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 8.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 7.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 8.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 8.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 9.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 9.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 9.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 9.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 5.5358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 9.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 9.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 10.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 10.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 9.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 9.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 10.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 10.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 5.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 5.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 8.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 7.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 5.1168 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 5.5053 2.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 60 1 0 0 0 0 2 61 1 0 0 0 0 16 3 1 1 0 0 0 3 43 1 0 0 0 0 17 4 1 1 0 0 0 4 44 1 0 0 0 0 19 5 1 6 0 0 0 5 45 1 0 0 0 0 6 21 2 0 0 0 0 7 22 1 0 0 0 0 7 53 1 0 0 0 0 8 25 1 0 0 0 0 8 54 1 0 0 0 0 9 24 2 0 0 0 0 10 32 1 0 0 0 0 10 59 1 0 0 0 0 11 33 2 0 0 0 0 18 12 1 1 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 1 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 33 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 32 1 0 0 0 0 29 34 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 35 2 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 M END > 54724350 > 1 > 1000 > 10 > 9 > 2 > AAADceB7PAAGAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/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;dihydrochloride > (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;dihydrochloride > (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;dihydrochloride > (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;dihydrochloride > (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;dihydrochloride > (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;dihydrochloride > InChI=1S/C22H24N2O9.2ClH/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);2*1H/t12-,13-,14+,17+,21-,22+;;/m1../s1 > XEHLBEZHLRQWIG-JEKSYDDFSA-N > 532.1015358 > C22H26Cl2N2O9 > 533.4 > 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.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.Cl.Cl > 202 > 532.1015358 > 0 > 35 > 6 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 18 12 5 14 36 5 15 37 5 23 28 8 23 29 8 28 32 8 29 34 8 16 3 5 32 35 8 34 35 8 17 4 5 19 5 6 $$$$