54747624 -OEChem-03292402532D 81 83 0 1 0 0 0 0 0999 V2000 8.5194 1.0002 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 2.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 5.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 5.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 7.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3043 7.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 10.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0364 8.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 9.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 7.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 1.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.5779 0.0000 C 0 0 2 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 4.9338 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 3.5779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 2.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 2.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 3.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 4.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 4.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 3.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 9.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5723 8.8168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3043 8.8168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7062 9.3168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1703 9.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 8.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 1.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 1.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 1.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 0.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 0.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6693 5.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 0.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 0.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 1.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2334 5.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 5.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 3.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9013 9.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 8.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 8.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 9.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5689 9.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 9.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 10.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 7.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 7.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 10.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5733 9.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 9.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 22 2 1 6 0 0 0 2 55 1 0 0 0 0 24 3 1 1 0 0 0 3 56 1 0 0 0 0 4 26 2 0 0 0 0 5 27 1 0 0 0 0 5 63 1 0 0 0 0 6 30 1 0 0 0 0 6 64 1 0 0 0 0 7 29 2 0 0 0 0 8 37 1 0 0 0 0 8 69 1 0 0 0 0 9 38 2 0 0 0 0 41 10 1 6 0 0 0 10 76 1 0 0 0 0 42 11 1 6 0 0 0 11 77 1 0 0 0 0 43 12 1 1 0 0 0 12 78 1 0 0 0 0 44 13 1 6 0 0 0 13 79 1 0 0 0 0 14 45 1 0 0 0 0 14 80 1 0 0 0 0 15 46 1 0 0 0 0 15 81 1 0 0 0 0 16 46 2 0 0 0 0 23 17 1 6 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 38 1 0 0 0 0 18 67 1 0 0 0 0 18 68 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 47 1 6 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 48 1 6 0 0 0 21 49 1 0 0 0 0 21 50 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 51 1 0 0 0 0 24 28 1 0 0 0 0 24 33 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 32 1 0 0 0 0 28 34 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 38 1 0 0 0 0 32 37 2 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 39 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 40 1 0 0 0 0 39 40 2 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 70 1 0 0 0 0 42 44 1 0 0 0 0 42 71 1 0 0 0 0 43 45 1 0 0 0 0 43 72 1 0 0 0 0 44 46 1 0 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 M END > 54747624 > 1 > 1180 > 16 > 12 > 7 > AAADcfB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgIQCAAADX7hmCYyDoNAAgCIAqHSGAKCAAAgJQAIiAHOCsgJNz6LkjKEcAAn4BEJmQf+/vfugCABIAAZAADAQAZAADIAAAAAAAAAAA== > (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aS,5aS,6S,12aR)-7-chloranyl-4-(dimethylamino)-6-methyl-1,6,10,11,12a-pentakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid > (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > InChI=1S/C22H23ClN2O8.C6H12O7/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);2-5,7-11H,1H2,(H,12,13)/t7-,8-,15-,21-,22-;2-,3-,4+,5-/m01/s1 > VXHVIGMGCLBBNG-KAUUMSSLSA-N > 674.1725961 > C28H35ClN2O15 > 675.0 > CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.C(C(C(C(C(C(=O)O)O)O)O)O)O > C[C@@]1([C@H]2C[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)N)N(C)C)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O > 320 > 674.1725961 > 0 > 46 > 9 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 41 10 6 42 11 6 43 12 5 44 13 6 23 17 6 19 47 6 22 2 6 20 48 6 28 32 8 28 34 8 24 3 5 32 37 8 34 39 8 37 40 8 39 40 8 $$$$