60079583 -OEChem-04262415332D 65 69 0 1 0 0 0 0 0999 V2000 6.0678 2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -1.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 2.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.1928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 1.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.3418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 1.3418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9338 -0.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.3418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2678 0.3210 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2678 1.3626 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7998 1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5998 0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -1.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 1.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3796 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 -2.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6361 -2.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4963 -3.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -0.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -0.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -0.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -0.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -0.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 1.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -0.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 2.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 0.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -2.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -1.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -1.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 3.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 1.6964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 3.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9201 -1.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1144 -1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9014 -3.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0956 -3.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4891 -3.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 46 1 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 21 3 1 1 0 0 0 3 54 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 23 1 0 0 0 0 6 55 1 0 0 0 0 7 25 2 0 0 0 0 8 29 1 0 0 0 0 8 60 1 0 0 0 0 13 9 1 1 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 25 1 0 0 0 0 10 56 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 1 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 1 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 28 2 0 0 0 0 23 24 1 0 0 0 0 24 29 2 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 M END > 60079583 > 1 > 1010 > 9 > 6 > 3 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADBQAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAICAAAgIAAIiAFOCMgKNz6KkRKEcAAn8BEYmQf+//fuoAADAAAYAADCAAaEADQgAAAAAAAAAA== > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-1,12-dioxo-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-1,12-dioxo-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-1,12-dioxo-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-1,12-dioxo-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentakis(oxidanyl)-1,12-bis(oxidanylidene)-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > (4R,4aR,5aR,6S,12aS)-4-(dimethylamino)-3,6,10,11,12a-pentahydroxy-1,12-diketo-7-phenyl-3,4,4a,5,5a,6-hexahydro-2H-tetracene-2-carboxamide > InChI=1S/C27H28N2O8/c1-29(2)20-14-10-13-17(24(34)27(14,37)25(35)19(23(20)33)26(28)36)22(32)18-15(30)9-8-12(16(18)21(13)31)11-6-4-3-5-7-11/h3-9,13-14,19-21,23,30-33,37H,10H2,1-2H3,(H2,28,36)/t13-,14-,19?,20-,21+,23?,27-/m1/s1 > LLBIBPAHPOTYQE-YVURECSCSA-N > 1.4 > 508.18456586 > C27H28N2O8 > 508.5 > CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(C1O)C(=O)N)O)O)O)C5=CC=CC=C5)O > CN(C)[C@@H]1[C@H]2C[C@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@]2(C(=O)C(C1O)C(=O)N)O)O)O)C5=CC=CC=C5)O > 182 > 508.18456586 > 0 > 37 > 5 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 11 38 5 15 42 5 17 25 3 16 2 3 22 24 8 22 28 8 24 29 8 28 30 8 29 31 8 21 3 5 30 31 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 13 9 5 $$$$