70215623 -OEChem-04262409272D 111115 0 1 0 0 0 0 0999 V2000 8.6814 14.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 10.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9314 14.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 4.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6814 10.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5904 10.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 10.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 13.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2671 10.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1552 10.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 2.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 5.3703 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9330 14.3537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 11.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 0.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5940 5.8703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0364 4.1546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9833 5.3183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0023 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 12.8191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9646 7.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5475 12.8191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5607 4.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6814 13.3191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0986 6.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 11.8191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9215 13.3538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4414 13.3538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5475 11.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 3.6546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6814 11.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9215 11.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9230 5.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3475 12.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 12.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4414 11.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 11.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 14.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3475 11.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2786 13.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 14.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8048 14.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2786 11.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6890 5.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 11.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0364 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2224 12.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2224 11.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0364 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3301 6.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8207 4.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9923 5.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 3.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5979 3.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 13.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5186 7.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 7.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 12.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2817 3.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1185 4.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2184 13.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 7.2650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 6.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4626 13.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0306 6.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4648 14.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6152 14.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3981 13.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2184 14.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 10.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6152 14.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2715 14.0168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 15.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5395 15.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 14.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 14.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3453 15.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 15.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5814 4.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2716 5.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 10.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5733 2.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9632 9.9684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7582 13.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7582 11.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5733 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 11.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 12.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8004 9.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4176 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 2.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 1.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 9.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26 1 1 1 0 0 0 1 80 1 0 0 0 0 28 2 1 1 0 0 0 2 81 1 0 0 0 0 30 3 1 6 0 0 0 3 82 1 0 0 0 0 32 4 1 6 0 0 0 4 83 1 0 0 0 0 5 33 2 0 0 0 0 6 34 1 0 0 0 0 6 93 1 0 0 0 0 7 38 1 0 0 0 0 7 95 1 0 0 0 0 8 37 2 0 0 0 0 9 46 1 0 0 0 0 9102 1 0 0 0 0 10 49 2 0 0 0 0 11 57 1 0 0 0 0 11 59 1 0 0 0 0 12108 1 0 0 0 0 12109 1 0 0 0 0 13110 1 0 0 0 0 13111 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 14 27 1 0 0 0 0 29 15 1 1 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 49 1 0 0 0 0 16100 1 0 0 0 0 16101 1 0 0 0 0 17 53 2 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 60 1 1 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 61 1 1 0 0 0 20 25 1 0 0 0 0 20 35 1 1 0 0 0 20 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 22 65 1 1 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 68 1 1 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 29 37 1 0 0 0 0 29 74 1 0 0 0 0 30 36 1 0 0 0 0 30 40 1 0 0 0 0 31 33 1 0 0 0 0 31 38 2 0 0 0 0 32 42 1 0 0 0 0 32 75 1 0 0 0 0 34 39 2 0 0 0 0 35 47 2 0 0 0 0 35 76 1 0 0 0 0 36 41 2 0 0 0 0 36 43 1 0 0 0 0 37 39 1 0 0 0 0 38 41 1 0 0 0 0 39 49 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 46 1 0 0 0 0 42 48 2 0 0 0 0 42 50 1 0 0 0 0 43 51 2 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 46 52 2 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 48 53 1 0 0 0 0 48 54 1 0 0 0 0 50 55 2 0 0 0 0 50 94 1 0 0 0 0 51 52 1 0 0 0 0 51 96 1 0 0 0 0 52 97 1 0 0 0 0 53 56 1 0 0 0 0 54 57 2 0 0 0 0 54 98 1 0 0 0 0 55 99 1 0 0 0 0 56 58 2 0 0 0 0 56103 1 0 0 0 0 57 58 1 0 0 0 0 58104 1 0 0 0 0 59105 1 0 0 0 0 59106 1 0 0 0 0 59107 1 0 0 0 0 M END > 70215623 > 1 > 1460 > 16 > 10 > 6 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAA8ePFiAAAAAACx9AAAHgAQCAAADXzhngY+xvNIFgCoA7V3VAKCiCAxIiAI2CH+bNgPN/7OsbuEcChn4BHZ+Qf+/v+ugEABAAAaAADAgAYQADQAAAAAAAAAAA== > (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;(S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol;dihydrate > (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;(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol;dihydrate > (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;(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate > (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;(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate > (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;(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate > (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;(S)-(6-methoxy-4-quinolyl)-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methanol;dihydrate > InChI=1S/C22H24N2O9.C20H24N2O2.2H2O/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;1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H2/t12-,13-,14+,17+,21-,22+;13-,14-,19+,20-;;/m10../s1 > PZBOTOQHNYGFHF-QDQFFALSSA-N > 820.35308773 > C42H52N4O13 > 820.9 > 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.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O > 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.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.O.O > 249 > 820.35308773 > 0 > 59 > 10 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 26 1 5 29 15 5 17 53 8 17 55 8 18 60 5 19 61 5 28 2 5 20 35 5 22 65 5 24 68 5 30 3 6 36 41 8 36 43 8 32 4 6 41 46 8 42 48 8 42 50 8 43 51 8 46 52 8 48 53 8 48 54 8 50 55 8 51 52 8 53 56 8 54 57 8 56 58 8 57 58 8 $$$$