71103218 -OEChem-03282413072D 61 65 0 1 0 0 0 0 0999 V2000 6.0678 -2.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -2.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -2.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -2.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 1.2143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.3478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.3203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0678 -1.3203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 -0.3203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1738 0.2144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 0.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 0.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8105 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5424 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 2.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6591 3.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 0.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 0.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 0.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 0.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 -2.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 0.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 2.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 1.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 1.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 2.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -2.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 1.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0829 1.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -3.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -1.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2584 3.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0642 3.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 3.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -3.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 42 1 0 0 0 0 2 15 2 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 4 50 1 0 0 0 0 5 22 1 0 0 0 0 5 53 1 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 61 1 0 0 0 0 8 30 2 0 0 0 0 14 9 1 1 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 1 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 39 1 1 0 0 0 14 21 1 0 0 0 0 14 40 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 1 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 33 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 34 2 0 0 0 0 31 35 1 0 0 0 0 31 51 1 0 0 0 0 32 36 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 37 2 0 0 0 0 35 56 1 0 0 0 0 36 37 1 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 M END > 71103218 > 1 > 1120 > 9 > 5 > 3 > AAADceB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBQAAAHgAQCAAADWzBmAQyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJJz6KkTKEcAAn4BEJmQe/zvDugAABAAAYAADAAAYAADAAAAAAAAAAAA== > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,5,12-trioxo-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,5,12-trioxo-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,5,12-trioxo-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,5,12-trioxo-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrakis(oxidanyl)-3,5,12-tris(oxidanylidene)-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > (4S,4aS,5aR,6S,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,5,12-triketo-6-phenyl-4,4a,5a,6-tetrahydrotetracene-2-carboxamide > InChI=1S/C27H24N2O8/c1-29(2)20-19-22(32)16-14(11-7-4-3-5-8-11)12-9-6-10-13(30)15(12)21(31)17(16)24(34)27(19,37)25(35)18(23(20)33)26(28)36/h3-10,14,16,19-20,30-31,35,37H,1-2H3,(H2,28,36)/t14-,16+,19+,20-,27-/m0/s1 > XBTLIKLLNFOVPX-QFBQIAHESA-N > 1.7 > 504.15326573 > C27H24N2O8 > 504.5 > CN(C)C1C2C(=O)C3C(C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)C5=CC=CC=C5 > CN(C)[C@H]1[C@@H]2C(=O)[C@@H]3[C@H](C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)C5=CC=CC=C5 > 179 > 504.15326573 > 0 > 37 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 5 11 38 5 13 39 5 16 25 5 20 24 8 20 26 8 24 29 8 25 31 8 25 32 8 26 33 8 29 34 8 31 35 8 32 36 8 33 34 8 35 37 8 36 37 8 14 9 5 $$$$