69294475 -OEChem-05102418422D 81 83 0 0 0 0 0 0 0999 V2000 9.2205 4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2205 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4721 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4721 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5148 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5148 13.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9689 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9689 8.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 2.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 10.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9805 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9805 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3545 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2205 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2205 7.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8291 4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8291 9.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4606 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4606 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8176 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8176 10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6662 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6662 11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5264 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5264 12.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4223 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4223 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4284 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4284 9.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4384 4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0479 4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0479 8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4384 9.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5988 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5988 11.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 10.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2182 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2182 10.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0569 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4474 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4474 12.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0569 11.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9388 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9388 9.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1357 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7451 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7451 11.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1357 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0481 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0481 13.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 6.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 27 1 0 0 0 0 3 66 1 0 0 0 0 4 28 1 0 0 0 0 4 67 1 0 0 0 0 5 35 1 0 0 0 0 5 72 1 0 0 0 0 6 36 1 0 0 0 0 6 73 1 0 0 0 0 7 40 1 0 0 0 0 7 79 1 0 0 0 0 8 41 1 0 0 0 0 8 80 1 0 0 0 0 9 45 1 0 0 0 0 9 81 1 0 0 0 0 10 45 2 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 48 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 49 1 0 0 0 0 13 29 1 0 0 0 0 13 33 1 0 0 0 0 13 60 1 0 0 0 0 14 30 1 0 0 0 0 14 34 1 0 0 0 0 14 61 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 2 0 0 0 0 20 22 1 0 0 0 0 20 28 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 29 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 36 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 42 2 0 0 0 0 39 75 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 76 1 0 0 0 0 43 44 2 0 0 0 0 43 77 1 0 0 0 0 44 45 1 0 0 0 0 44 78 1 0 0 0 0 M END > 69294475 > 1 > 783 > 14 > 11 > 14 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBUAAAHgAQCAAADAzhmAYwzoLAAgCIAqTSSACCAAAlIgAIiIEO7MgLdj7ClZOUcclk8BHZ2cff2POOoQCBQAAaQADCAQaAADSAAAAAAAAAAA== > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;(E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid > 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;(E)-3-(3,4-dihydroxyphenyl)acrylic acid > InChI=1S/C22H28N4O6.C9H8O4/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;10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-4,23-30H,5-12H2;1-5,10-11H,(H,12,13)/b;4-2+ > KINGPEAJKDATDV-QGLCECKVSA-N > 624.24314336 > C31H36N4O10 > 624.6 > C1=CC(=C(C=C1C=CC(=O)O)O)O.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > C1=CC(=C(C=C1/C=C/C(=O)O)O)O.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > 241 > 624.24314336 > 0 > 45 > 0 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 15 16 8 15 17 8 16 18 8 17 23 8 18 24 8 19 20 8 19 27 8 20 28 8 23 24 8 27 31 8 28 32 8 31 32 8 37 38 8 37 39 8 38 40 8 39 42 8 40 41 8 41 42 8 $$$$