54747632 -OEChem-04272400042D 61 63 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 5.6028 9.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 9.0149 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7368 7.5149 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 4.7368 8.5149 0.0000 N 0 3 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 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 6.1398 8.7049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 19 2 1 6 0 0 0 2 46 1 0 0 0 0 21 3 1 1 0 0 0 3 47 1 0 0 0 0 4 23 2 0 0 0 0 5 24 1 0 0 0 0 5 54 1 0 0 0 0 6 27 1 0 0 0 0 6 55 1 0 0 0 0 7 26 2 0 0 0 0 8 34 1 0 0 0 0 8 60 1 0 0 0 0 9 35 2 0 0 0 0 10 15 1 0 0 0 0 10 61 1 0 0 0 0 11 15 1 0 0 0 0 12 15 2 0 0 0 0 20 13 1 6 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 35 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 6 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 6 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 35 1 0 0 0 0 29 34 2 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 31 36 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 37 1 0 0 0 0 36 37 2 0 0 0 0 36 56 1 0 0 0 0 37 57 1 0 0 0 0 M CHG 2 11 -1 15 1 M END > 54747632 > 1 > 1030 > 12 > 7 > 2 > AAADceB7PAAEAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgIUCAAADW7BmCQyBoNAQgCJAqFSEQKCAAAgJQAIiAHOCsgJJz6LkjKEcAAn4BEJmQf+/veugCABIAAZAADAQAZAADIAAAAAAAAAAA== > (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;nitric 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;nitric 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;nitric 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;nitric 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;nitric 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;nitric acid > InChI=1S/C22H23ClN2O8.HNO3/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;2-1(3)4/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);(H,2,3,4)/t7-,8-,15-,21-,22-;/m0./s1 > WLGUJTFRDKMHDO-MRFRVZCGSA-N > 541.1099363 > C22H24ClN3O11 > 541.9 > 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.[N+](=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.[N+](=O)(O)[O-] > 248 > 541.1099363 > 0 > 37 > 5 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 20 13 6 16 38 6 17 39 6 19 2 6 25 29 8 25 31 8 29 34 8 21 3 5 31 36 8 34 37 8 36 37 8 $$$$