70485389 -OEChem-05132409572D 97 97 0 1 0 0 0 0 0999 V2000 0.0000 7.2665 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 7.5369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 6.5369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3367 6.5369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 13.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 10.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2161 13.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 9.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8751 9.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 9.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 12.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5518 9.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 9.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6122 5.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6122 8.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2178 13.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 11.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 2.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 12.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8322 12.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9662 12.9631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1001 11.4631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2062 12.9978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7261 12.9978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8322 11.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 10.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 10.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6322 12.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 12.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 10.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 11.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2162 13.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6322 11.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 13.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3576 14.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 14.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 10.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 10.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 12.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5071 11.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 2.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6046 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7386 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8726 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1067 13.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5716 12.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5031 13.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 13.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7495 14.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 14.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6828 13.5418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5031 14.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7016 9.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8999 14.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5562 13.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6738 15.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 14.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0414 13.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3933 13.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 14.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7857 15.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2658 9.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 9.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0429 12.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0429 11.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0324 11.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 12.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0851 9.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 1.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3926 4.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9940 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2016 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1606 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0076 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7806 2.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9506 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3492 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9337 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3367 2.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5626 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3356 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1826 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1491 6.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 6.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1491 8.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0752 8.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 7.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 97 1 0 0 0 0 2 52 1 0 0 0 0 3 52 1 0 0 0 0 4 52 1 0 0 0 0 21 5 1 1 0 0 0 5 60 1 0 0 0 0 22 6 1 1 0 0 0 6 61 1 0 0 0 0 24 7 1 6 0 0 0 7 62 1 0 0 0 0 8 26 2 0 0 0 0 9 27 1 0 0 0 0 9 70 1 0 0 0 0 10 30 1 0 0 0 0 10 71 1 0 0 0 0 11 29 2 0 0 0 0 12 37 1 0 0 0 0 12 76 1 0 0 0 0 13 38 2 0 0 0 0 14 93 1 0 0 0 0 14 94 1 0 0 0 0 15 95 1 0 0 0 0 15 96 1 0 0 0 0 23 16 1 1 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 38 1 0 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 18 41 1 0 0 0 0 18 45 1 0 0 0 0 18 80 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 1 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 54 1 1 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 56 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 27 31 2 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 38 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 37 1 0 0 0 0 34 39 2 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 40 2 0 0 0 0 39 40 1 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 0 0 0 0 41 77 1 0 0 0 0 42 43 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 46 2 0 0 0 0 43 47 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 45 49 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 48 1 0 0 0 0 46 86 1 0 0 0 0 47 50 2 0 0 0 0 47 87 1 0 0 0 0 48 51 2 0 0 0 0 48 52 1 0 0 0 0 49 88 1 0 0 0 0 49 89 1 0 0 0 0 49 90 1 0 0 0 0 50 51 1 0 0 0 0 50 91 1 0 0 0 0 51 92 1 0 0 0 0 M END > 70485389 > 1 > 1210 > 16 > 11 > 6 > AAADcfB/PYAEAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHwAQCAAADXzhmBYyBoPAAgCIAqFSEAKCAAAgIAAIiIHOCMgJNz6KkTOEcAAn8BGJmQf+/veugAADAAAYAADAAAYQADAAAAAAAAAAAA== > (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;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;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;N-ethyl-1-[3-(trifluoromethyl)phenyl]-2-propanamine;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;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;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;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;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;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;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;ethyl-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amine;dihydrate;hydrochloride > InChI=1S/C22H24N2O9.C12H16F3N.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;1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);4-6,8-9,16H,3,7H2,1-2H3;1H;2*1H2/t12-,13-,14+,17+,21-,22+;;;;/m1..../s1 > XLKKFYDASBWUBA-ODQZHCRPSA-N > 763.2694714 > C34H45ClF3N3O11 > 764.2 > CCNC(C)CC1=CC(=CC=C1)C(F)(F)F.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 > CCNC(C)CC1=CC(=CC=C1)C(F)(F)F.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 > 216 > 763.2694714 > 0 > 52 > 6 > 1 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 23 16 5 19 53 5 20 54 5 28 33 8 28 34 8 33 37 8 34 39 8 37 40 8 39 40 8 41 44 3 43 46 8 43 47 8 46 48 8 47 50 8 48 51 8 21 5 5 50 51 8 22 6 5 24 7 6 $$$$