67469015 -OEChem-04262413052D 98102 0 1 0 0 0 0 0999 V2000 11.1307 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6966 6.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 6.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9881 3.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 4.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 7.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5834 7.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 5.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5014 2.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 9.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 7.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4099 9.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9572 7.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 9.2312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2725 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 5.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 3.3189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 5.9878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 4.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 4.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 2.9878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5627 5.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4747 4.2669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5667 4.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3666 4.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4667 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 5.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8306 5.8189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8306 4.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9646 4.3189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0986 4.8189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0986 5.8189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4552 7.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 3.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1987 6.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 7.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1871 7.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2325 6.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 8.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2558 7.5756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9467 8.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9879 3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 6.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2873 8.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0912 7.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1791 9.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0872 8.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 9.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1499 10.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0289 9.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0789 11.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 5.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 5.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0247 10.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 3.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2494 11.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 5.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9554 4.8810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3599 4.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 4.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9744 4.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8306 6.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0427 4.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4412 4.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5015 4.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0986 4.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0986 6.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3682 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5425 6.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 6.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 5.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 9.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 6.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 3.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5015 3.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 8.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 6.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 2.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6078 3.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9783 4.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 4.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5763 8.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0776 5.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 9.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1881 9.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5658 9.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2823 9.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 7.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 5.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0693 11.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5592 10.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8692 12.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2350 12.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6296 11.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 2.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 2.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1307 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 98 1 0 0 0 0 22 2 1 6 0 0 0 28 2 1 1 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 23 4 1 6 0 0 0 4 68 1 0 0 0 0 31 5 1 6 0 0 0 5 81 1 0 0 0 0 6 41 1 0 0 0 0 6 43 1 0 0 0 0 7 33 1 0 0 0 0 7 82 1 0 0 0 0 8 35 1 0 0 0 0 8 83 1 0 0 0 0 9 34 2 0 0 0 0 39 10 1 1 0 0 0 10 87 1 0 0 0 0 40 11 1 1 0 0 0 11 88 1 0 0 0 0 12 44 2 0 0 0 0 13 45 2 0 0 0 0 14 48 1 0 0 0 0 14 92 1 0 0 0 0 15 49 1 0 0 0 0 15 56 1 0 0 0 0 16 52 2 0 0 0 0 30 17 1 6 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 43 18 1 6 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 53 2 0 0 0 0 19 55 1 0 0 0 0 20 52 1 0 0 0 0 20 55 2 0 0 0 0 21 55 1 0 0 0 0 21 96 1 0 0 0 0 21 97 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 38 1 6 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 34 42 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 72 1 0 0 0 0 40 43 1 0 0 0 0 40 73 1 0 0 0 0 41 48 1 6 0 0 0 41 76 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 43 77 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 47 2 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 49 51 2 0 0 0 0 50 54 2 0 0 0 0 50 86 1 0 0 0 0 51 54 1 0 0 0 0 51 90 1 0 0 0 0 53 89 1 0 0 0 0 54 91 1 0 0 0 0 56 93 1 0 0 0 0 56 94 1 0 0 0 0 56 95 1 0 0 0 0 M END > 67469015 > 1 > 1340 > 16 > 10 > 6 > AAADcfB/vAAEAAAAAAAAAAAAAAAAASAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAczDoNABgCoAqBTNAICCAEkIAAJiIFOCMifNzaGvRqucWAn9hMfuYf7/P7OwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one;hydrochloride > (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one;hydrochloride > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;hydrochloride > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;hydrochloride > 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3,5-triazin-2-one;(7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one;hydrochloride > InChI=1S/C27H29NO10.C8H12N4O5.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;2-6,13-15H,1H2,(H2,9,11,16);1H/t10-,14-,16-,17-,22+,27-;3-,4-,5-,6-;/m01./s1 > XQNBTGIPRPJWPR-VTXWQYIISA-N > 807.2365933 > C35H42ClN5O15 > 808.2 > CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N.Cl > C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N.Cl > 327 > 807.2365933 > 0 > 56 > 10 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 39 10 5 40 11 5 30 17 6 43 18 6 18 52 8 18 53 8 19 53 8 19 55 8 22 2 6 28 2 5 20 52 8 20 55 8 26 27 8 26 33 8 27 35 8 32 38 6 33 36 8 35 37 8 36 37 8 23 4 6 41 48 6 46 47 8 46 49 8 47 50 8 49 51 8 31 5 6 50 54 8 51 54 8 $$$$