54607525 -OEChem-05042412322D 68 69 0 0 0 0 0 0 0999 V2000 8.0302 4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 13.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7786 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7786 8.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4874 2.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4874 10.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8962 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7902 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7902 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1642 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1642 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 7.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6388 4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6388 9.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6272 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6272 10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3642 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4758 11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 12.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2320 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2320 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2381 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2381 9.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8576 4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8576 8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 9.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 11.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0179 10.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0279 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0279 10.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8666 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 12.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8666 11.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 9.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5548 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5548 11.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 13.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 7.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 25 1 0 0 0 0 3 57 1 0 0 0 0 4 26 1 0 0 0 0 4 58 1 0 0 0 0 5 33 1 0 0 0 0 5 63 1 0 0 0 0 6 34 1 0 0 0 0 6 64 1 0 0 0 0 7 36 1 0 0 0 0 7 68 1 0 0 0 0 8 36 2 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 9 39 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 10 40 1 0 0 0 0 11 27 1 0 0 0 0 11 31 1 0 0 0 0 11 51 1 0 0 0 0 12 28 1 0 0 0 0 12 32 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 18 20 1 0 0 0 0 18 26 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 26 30 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 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 33 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 54607525 > 1 > 602 > 12 > 9 > 12 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHgAQCAAADAzhmAYyzoLAAgCIAqTSSACCAAAlIgAIiIEObMgKdj7ClJOUcchk8BHY2Uff2POOgQCBQAAaAACCAQaAADQAAAAAAAAAAA== > acetic acid;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione > acetic acid;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione > acetic acid;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione > acetic acid;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione > 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;ethanoic acid > acetic acid;1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone > InChI=1S/C22H28N4O6.C2H4O2/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;1-2(3)4/h1-4,23-30H,5-12H2;1H3,(H,3,4) > MXBYMBHGTLEGPX-UHFFFAOYSA-N > 504.22201399 > C24H32N4O8 > 504.5 > CC(=O)O.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > CC(=O)O.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > 201 > 504.22201399 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 2 > 95 > 1 5 255 > 13 14 8 13 15 8 14 16 8 15 21 8 16 22 8 17 18 8 17 25 8 18 26 8 21 22 8 25 29 8 26 30 8 29 30 8 $$$$