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0 9.8144 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9204 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2944 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8144 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3044 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6516 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1778 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6516 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9245 2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9139 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5175 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8355 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7711 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7898 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9881 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1296 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4815 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3541 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1311 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1311 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1206 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1734 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 12.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 12.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 10.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 10.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6628 7.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 7.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 1 0 0 0 1 45 1 0 0 0 0 19 2 1 1 0 0 0 2 46 1 0 0 0 0 21 3 1 6 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 55 1 0 0 0 0 6 27 1 0 0 0 0 6 56 1 0 0 0 0 7 26 2 0 0 0 0 8 34 1 0 0 0 0 8 61 1 0 0 0 0 9 35 2 0 0 0 0 10 62 1 0 0 0 0 10 63 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 12 66 1 0 0 0 0 12 67 1 0 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 20 14 1 1 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 35 1 0 0 0 0 15 59 1 0 0 0 0 15 60 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 1 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 1 0 0 0 18 40 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 41 1 0 0 0 0 21 25 1 0 0 0 0 21 29 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 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 30 34 1 0 0 0 0 31 36 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 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 37 2 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 > 54724360 > 1 > 1000 > 14 > 11 > 2 > AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyBoNAAgCIAqFSEAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;tetrahydrate > InChI=1S/C22H24N2O9.4H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);4*1H2/t12-,13-,14+,17+,21-,22+;;;;/m1..../s1 > DLNJDDVILHBIOT-ODQZHCRPSA-N > 532.19043908 > C22H32N2O13 > 532.5 > CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O.O.O > C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.O.O.O.O > 206 > 532.19043908 > 0 > 37 > 6 > 0 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 18 1 5 20 14 5 16 38 5 17 39 5 19 2 5 25 30 8 25 31 8 21 3 6 30 34 8 31 36 8 34 37 8 36 37 8 $$$$