62770 -OEChem-03282408112D 69 72 0 1 0 0 0 0 0999 V2000 4.4351 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 3.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 7.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 5.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 2.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 7.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 11.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7791 4.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8711 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 5.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 5.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7596 7.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 3.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 7.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 7.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 8.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 7.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 9.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 8.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 9.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 11.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 10.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 12.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 5.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 4.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 4.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 4.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 3.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 4.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 8.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 5.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 9.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 11.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 10.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 12.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 12.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 11.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 69 1 0 0 0 0 13 2 1 6 0 0 0 19 2 1 1 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 14 4 1 6 0 0 0 4 51 1 0 0 0 0 22 5 1 6 0 0 0 5 60 1 0 0 0 0 6 24 1 0 0 0 0 6 61 1 0 0 0 0 7 26 1 0 0 0 0 7 62 1 0 0 0 0 8 25 2 0 0 0 0 9 31 2 0 0 0 0 10 32 2 0 0 0 0 11 35 1 0 0 0 0 11 39 1 0 0 0 0 21 12 1 6 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 29 1 6 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 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 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 M END > 62770 > 1 > 960 > 11 > 6 > 4 > AAADceB6PAAEAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICCAAkIAAIiIFGCMgfNzaGtRqicWAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (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;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;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;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;hydrochloride > (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;hydrochloride > InChI=1S/C27H29NO10.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;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1 > GUGHGUXZJWAIAS-QQYBVWGSSA-N > 563.1558238 > C27H30ClNO10 > 564.0 > 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.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.Cl > 186 > 563.1558238 > 0 > 39 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 12 6 17 18 8 17 24 8 18 26 8 13 2 6 19 2 5 23 29 6 24 27 8 26 28 8 27 28 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 14 4 6 22 5 6 $$$$