69933863 -OEChem-04262420462D 103109 0 1 0 0 0 0 0999 V2000 5.7035 6.1892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 13.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 10.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 13.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 9.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 9.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 9.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 12.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 9.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 9.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 3.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2913 3.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3378 0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1741 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 13.6859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 11.1238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 5.1892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 2.1477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 6.1892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 12.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 12.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 12.6513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 11.1513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 12.6860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 12.6860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 11.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 10.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 10.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 12.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 12.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 10.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 11.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 13.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 11.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 12.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 14.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 14.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 10.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 10.6272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 12.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 11.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 6.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 1.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7035 3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 6.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7035 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 6.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4424 2.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3181 1.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 13.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 11.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 12.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 13.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 13.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 14.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 13.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 13.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 9.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 14.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 13.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 14.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 14.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 13.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 13.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 14.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 14.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 9.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 9.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 12.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 10.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 11.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 9.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 4.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 4.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 6.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1835 6.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 5.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 4.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 7.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 7.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 2.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 1.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1064 4.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 0.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 7.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 6.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 6.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8807 0.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 52 1 0 0 0 0 22 2 1 1 0 0 0 2 67 1 0 0 0 0 23 3 1 1 0 0 0 3 68 1 0 0 0 0 25 4 1 6 0 0 0 4 69 1 0 0 0 0 5 27 2 0 0 0 0 6 28 1 0 0 0 0 6 77 1 0 0 0 0 7 31 1 0 0 0 0 7 78 1 0 0 0 0 8 30 2 0 0 0 0 9 38 1 0 0 0 0 9 83 1 0 0 0 0 10 39 2 0 0 0 0 11 47 1 0 0 0 0 11 50 1 0 0 0 0 12 56 2 0 0 0 0 13 59 1 0 0 0 0 13103 1 0 0 0 0 14 59 2 0 0 0 0 24 15 1 1 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 39 1 0 0 0 0 16 81 1 0 0 0 0 16 82 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 53 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 57 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 60 1 1 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 61 1 1 0 0 0 22 62 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 30 1 0 0 0 0 24 63 1 0 0 0 0 25 29 1 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 28 32 2 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 32 39 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 38 1 0 0 0 0 35 40 2 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 41 2 0 0 0 0 40 41 1 0 0 0 0 40 79 1 0 0 0 0 41 80 1 0 0 0 0 42 48 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 49 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 47 1 0 0 0 0 44 52 2 0 0 0 0 45 50 1 0 0 0 0 45 55 1 1 0 0 0 45 88 1 0 0 0 0 46 47 2 0 0 0 0 46 51 1 0 0 0 0 48 89 1 0 0 0 0 48 90 1 0 0 0 0 49 91 1 0 0 0 0 49 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 51 54 2 0 0 0 0 51 56 1 0 0 0 0 52 54 1 0 0 0 0 53 58 2 0 0 0 0 53 95 1 0 0 0 0 54 96 1 0 0 0 0 55 97 1 0 0 0 0 55 98 1 0 0 0 0 55 99 1 0 0 0 0 56 58 1 0 0 0 0 57100 1 0 0 0 0 57101 1 0 0 0 0 57102 1 0 0 0 0 58 59 1 0 0 0 0 M END > 69933863 > 1 > 1640 > 18 > 8 > 4 > AAADcfB/vQAAAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAACxQAAAHwAQCAAADXzhmA4yzoNABgCIAqXWWAKCCAAlIAAIiAHPTMgPdz7O9fuXeajn4BHZ+cf+//e+iAABAAQaEADQAAYQCDQgAAAAAAAAAA== > (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;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > (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;(2S)-7-fluoro-2-methyl-6-(4-methyl-1-piperazinyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > (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;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > (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;(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > (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;(2S)-7-fluoranyl-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxidanylidene-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > (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;(2S)-7-fluoro-10-keto-2-methyl-6-(4-methylpiperazino)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > InChI=1S/C22H24N2O9.C18H20FN3O4/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;1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t12-,13-,14+,17+,21-,22+;10-/m10/s1 > ZFQROYZUFMWERD-HOUWQEOYSA-N > 821.29196464 > C40H44FN5O13 > 821.8 > CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.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 > C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=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 > 275 > 821.29196464 > 0 > 59 > 7 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 24 15 5 18 46 8 18 53 8 22 2 5 20 60 5 21 61 5 29 34 8 29 35 8 23 3 5 34 38 8 35 40 8 38 41 8 25 4 6 40 41 8 44 47 8 44 52 8 45 55 5 46 47 8 46 51 8 51 54 8 51 56 8 52 54 8 53 58 8 56 58 8 $$$$