66776949 -OEChem-04262400052D 70 71 0 0 0 0 0 0 0999 V2000 11.5424 7.1721 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 13.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 7.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 8.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 10.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 2.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 7.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 9.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 12.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6763 7.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5424 6.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 9.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 9.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4197 4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 11.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 10.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 10.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 12.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 11.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4286 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 9.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 11.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1169 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1169 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7264 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 13.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9863 8.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1394 7.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3663 7.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 6.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5424 5.5521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1624 6.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 19 2 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 26 1 0 0 0 0 5 58 1 0 0 0 0 6 33 1 0 0 0 0 6 63 1 0 0 0 0 7 34 1 0 0 0 0 7 64 1 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 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > 66776949 > 1 > 600 > 12 > 8 > 12 > AAADcfB7uABAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHgQQCAAADAzhmAayxoLAAgqIAqRSQECCAAAlIgAIiIEObMgKdj7ClJOUcchk8BHY2Uff2POOgQCBQAAaAACCAQaAADQAAAAAAAAAAA== > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;methylsulfinylmethane > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;methylsulfinylmethane > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;methylsulfinylmethane > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;methylsulfinylmethane > 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;methylsulfinylmethane > 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;methylsulfinylmethane > InChI=1S/C22H28N4O6.C2H6OS/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;1-4(2)3/h1-4,23-30H,5-12H2;1-2H3 > LUBQIIYWBLLVAJ-UHFFFAOYSA-N > 522.21482061 > C24H34N4O7S > 522.6 > CS(=O)C.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > CS(=O)C.C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO > 200 > 522.21482061 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 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 $$$$