443939 -OEChem-05052412432D 70 73 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 6.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 3.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 7.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 5.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8056 2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 7.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 11.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7791 4.2808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8711 4.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 5.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 5.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7596 7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 3.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 6.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 8.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 7.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 9.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 11.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 10.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 5.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 4.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 4.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 4.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 3.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 4.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 8.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 5.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 9.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 2.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 11.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 10.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 12.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 12.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 11.9892 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 70 1 0 0 0 0 14 2 1 6 0 0 0 20 2 1 1 0 0 0 3 20 1 0 0 0 0 3 24 1 0 0 0 0 15 4 1 6 0 0 0 4 52 1 0 0 0 0 23 5 1 6 0 0 0 5 60 1 0 0 0 0 6 25 1 0 0 0 0 6 61 1 0 0 0 0 7 27 1 0 0 0 0 7 62 1 0 0 0 0 8 26 2 0 0 0 0 9 31 1 0 0 0 0 9 64 1 0 0 0 0 10 32 2 0 0 0 0 11 33 2 0 0 0 0 12 36 1 0 0 0 0 12 40 1 0 0 0 0 22 13 1 6 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 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 24 1 0 0 0 0 23 50 1 0 0 0 0 24 30 1 6 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 M END > 443939 > 1 > 977 > 12 > 7 > 5 > AAADceB6PAAEAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICCAAkIAAIiIFGCMgfNzaGtRqicWAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride > (7S,9S)-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride > (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride > (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-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-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride > (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride > InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1 > MWWSFMDVAYGXBV-RUELKSSGSA-N > 579.1507385 > C27H30ClNO11 > 580.0 > CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)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)CO)O)N)O.Cl > 206 > 579.1507385 > 0 > 40 > 6 > 0 > 0 > 0 > 0 > 2 > 81 > 1 5 255 > 22 13 6 18 19 8 18 25 8 19 27 8 14 2 6 20 2 5 24 30 6 25 28 8 27 29 8 28 29 8 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 15 4 6 23 5 6 $$$$