54713173 -OEChem-03282413492D 74 77 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 5.8713 11.8154 0.0000 S 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 4.9338 1.0779 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 4.9338 5.0779 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 6.6822 5.1125 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 8.5194 5.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 7.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 12.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 11.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 11.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 9.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 7.8154 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 3 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 4.9338 2.0779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7998 2.5779 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1738 2.0432 0.0000 C 0 0 3 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 2.2678 2.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 2.0432 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 6.6938 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 7.5998 3.5987 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 6.6822 1.0433 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 8.5310 2.0002 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 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 5.8713 10.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 10.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 9.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 10.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8713 8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 9.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 8.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 2.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 1.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 1.9579 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 3.6693 5.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 0.7679 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 6.1417 0.7395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 0.7271 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 4.4683 10.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 10.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 9.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 7.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 13.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7363 9.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 41 1 0 0 0 0 20 3 1 6 0 0 0 3 52 1 0 0 0 0 4 21 1 0 0 0 0 4 53 1 0 0 0 0 5 26 1 0 0 0 0 5 62 1 0 0 0 0 6 25 2 0 0 0 0 7 27 2 0 0 0 0 8 30 1 0 0 0 0 8 63 1 0 0 0 0 9 36 2 0 0 0 0 10 38 1 0 0 0 0 10 68 1 0 0 0 0 11 45 1 0 0 0 0 11 72 1 0 0 0 0 12 73 1 0 0 0 0 15 47 1 0 0 0 0 15 74 1 0 0 0 0 16 47 2 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 36 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 22 50 1 0 0 0 0 23 27 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 30 2 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 35 2 0 0 0 0 29 36 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 31 37 2 0 0 0 0 32 38 2 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 2 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 41 42 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 69 1 0 0 0 0 43 45 2 0 0 0 0 43 47 1 0 0 0 0 44 46 2 0 0 0 0 44 70 1 0 0 0 0 45 46 1 0 0 0 0 46 71 1 0 0 0 0 M END > 54713173 > 1 > 1350 > 15 > 9 > 4 > AAADceB7PABEAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHgYQCAAADX7h2CYyD4NAAoKIAqHSGHLCAEAkJQAIiBnOCsgJNz6LlzKEcUAn4BEJmYf+7vSugKABoAAZAADBQAdQADIAAAAAAAAAAA== > (12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfo-benzoic acid > (12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfobenzoic acid > (12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfobenzoic acid > (12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfobenzoic acid > (12aR)-7-chloranyl-4-(dimethylamino)-6-methylidene-1,5,10,11,12a-pentakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-oxidanyl-5-sulfo-benzoic acid > (12aR)-7-chloro-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-3,12-diketo-6-methylene-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;2-hydroxy-5-sulfo-benzoic acid > InChI=1S/C22H21ClN2O8.C7H6O6S/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32);1-3,8H,(H,9,10)(H,11,12,13)/t10?,14?,15?,17?,22-;/m0./s1 > WVJKUGVVYXCLFV-ONECEPMTSA-N > 694.0871524 > C29H27ClN2O14S > 695.0 > CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O > CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O > 302 > 694.0871524 > 0 > 47 > 1 > 4 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 23 17 3 19 21 3 22 28 3 20 3 6 31 32 8 31 37 8 32 38 8 37 39 8 38 40 8 39 40 8 21 4 3 41 42 8 41 44 8 42 43 8 43 45 8 44 46 8 45 46 8 $$$$