69629723 -OEChem-04252411402D 62 64 0 1 0 0 0 0 0999 V2000 10.2515 1.0002 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 4.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 5.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5748 5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4142 5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 2.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2515 5.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1396 5.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 1.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 3.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3713 7.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 7.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 2.5779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5319 2.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6658 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 3.5779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9059 2.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4258 2.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5319 3.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6658 4.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9059 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3319 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4258 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3319 3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9158 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2068 2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2068 3.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 4.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8064 1.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5271 1.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2673 1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 1.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5996 0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4492 0.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 5.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 0.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3734 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4854 0.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3297 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 1.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9654 5.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9476 5.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7426 2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7426 3.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7848 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 4.5821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 4.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 18 2 1 6 0 0 0 2 46 1 0 0 0 0 20 3 1 1 0 0 0 3 47 1 0 0 0 0 4 22 2 0 0 0 0 5 23 1 0 0 0 0 5 54 1 0 0 0 0 6 26 1 0 0 0 0 6 55 1 0 0 0 0 7 25 2 0 0 0 0 8 33 1 0 0 0 0 8 59 1 0 0 0 0 9 34 2 0 0 0 0 10 37 1 0 0 0 0 10 62 1 0 0 0 0 19 11 1 6 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 34 1 0 0 0 0 12 37 1 0 0 0 0 12 58 1 0 0 0 0 13 14 3 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 38 1 6 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 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 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 42 1 0 0 0 0 20 24 1 0 0 0 0 20 29 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 28 1 0 0 0 0 24 30 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 34 1 0 0 0 0 28 33 2 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 35 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 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 M END > 69629723 > 1 > 1050 > 12 > 7 > 3 > AAADceB7vAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgIYCAAADW7BmCYyBoPAAgCIAqFSEAKCAAAgJQAIiIHOCskJNz6LkjKEcAAn4hEJmQf+/veugCABIAAZAADAQAZAADIAAAAAAAAAAA== > (4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > (4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > (4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > (4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-(hydroxymethyl)-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > (4S,4aS,6S,12aR)-7-chloranyl-4-(dimethylamino)-N-(hydroxymethyl)-6-methyl-1,6,10,11,12a-pentakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > (4S,4aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-diketo-6-methyl-N-methylol-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;molecular nitrogen > InChI=1S/C23H25ClN2O9.N2/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22;1-2/h4-5,8-9,16,27-29,32,34-35H,6-7H2,1-3H3,(H,25,33);/t8?,9-,16-,22-,23-;/m0./s1 > CTRAGEAYNIFULB-NESTYTTMSA-N > 536.1310061 > C23H25ClN4O9 > 536.9 > CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)NCO)N(C)C)O.N#N > C[C@@]1(C2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)NCO)N(C)C)O.N#N > 235 > 536.1310061 > 0 > 37 > 4 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 11 6 15 38 6 16 17 3 18 2 6 24 28 8 24 30 8 28 33 8 20 3 5 30 35 8 33 36 8 35 36 8 $$$$