51151 -OEChem-03282412022D 76 76 0 0 0 0 0 0 0999 V2000 3.2018 8.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 4.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 8.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 4.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 12.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3886 5.6839 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3886 9.8248 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1207 5.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 9.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 8.7289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 4.6598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 10.7488 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6590 2.6398 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0678 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 5.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 9.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 4.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 7.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 6.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 7.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 5.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 10.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 7.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 6.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 11.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 2.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 5.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 7.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 12.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 4.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 8.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 5.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 9.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 8.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 9.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 4.7299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 10.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 10.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 3.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 2.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 9.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 4.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 7.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 5.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3428 11.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 10.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3428 2.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9752 3.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7379 10.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1285 11.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1285 2.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7379 2.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 12.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 12.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 0.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 9.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 4.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3606 13.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3606 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6346 4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 3.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8746 4.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6346 8.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2546 7.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8746 8.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 24 2 0 0 0 0 3 31 1 0 0 0 0 3 67 1 0 0 0 0 4 32 1 0 0 0 0 4 68 1 0 0 0 0 5 35 1 0 0 0 0 5 69 1 0 0 0 0 6 36 1 0 0 0 0 6 70 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 39 2 0 0 0 0 10 40 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 49 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 50 1 0 0 0 0 13 25 1 0 0 0 0 13 29 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 25 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 26 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 2 0 0 0 0 22 24 1 0 0 0 0 22 32 2 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 35 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 36 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 M CHG 4 7 -1 8 -1 13 1 14 1 M END > 51151 > 1 > 597 > 12 > 8 > 12 > AAADcfB7vAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHgAQCAAADAzhmAYyzoLAAgCIAqTSSACCAAAlIgAIiIEObMgKdj7ClJOUcchk8BHY2Uff2POOgQCBQAAaAACCAQaAADQAAAAAAAAAAA== > 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylammonio)ethylamino]-9,10-dioxo-1-anthryl]amino]ethyl-(2-hydroxyethyl)ammonium;diacetate > 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylammonio)ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethyl-(2-hydroxyethyl)ammonium;diacetate > 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium;diacetate > 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylazaniumyl)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-(2-hydroxyethyl)azanium;diacetate > 2-hydroxyethyl-[2-[[4-[2-(2-hydroxyethylazaniumyl)ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethyl]azanium;diethanoate > 2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylammonio)ethylamino]-9,10-diketo-1-anthryl]amino]ethyl-(2-hydroxyethyl)ammonium;diacetate > InChI=1S/C22H28N4O6.2C2H4O2/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;2*1-2(3)4/h1-4,23-30H,5-12H2;2*1H3,(H,3,4) > ZWCKUVMZBKQQRG-UHFFFAOYSA-N > 564.24314336 > C26H36N4O10 > 564.6 > CC(=O)[O-].CC(=O)[O-].C1=CC(=C2C(=C1NCC[NH2+]CCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[NH2+]CCO > CC(=O)[O-].CC(=O)[O-].C1=CC(=C2C(=C1NCC[NH2+]CCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCC[NH2+]CCO > 253 > 564.24314336 > 0 > 40 > 0 > 0 > 0 > 0 > 0 > 3 > 95 > 1 5 255 > 15 16 8 15 17 8 16 18 8 17 27 8 18 28 8 21 22 8 21 31 8 22 32 8 27 28 8 31 33 8 32 34 8 33 34 8 $$$$