31703 -OEChem-09272320472D 68 72 0 1 0 0 0 0 0999 V2000 6.0010 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2925 -3.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.9435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 0.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 -1.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8058 -4.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8056 -4.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 2.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2616 0.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5769 3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7791 -2.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8711 -2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -2.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 -0.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6429 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.4435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.4435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7596 0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -3.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5031 -0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4915 0.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2923 -3.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3956 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4835 2.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4543 3.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3333 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 3.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3291 3.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5538 4.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3307 -1.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -2.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -3.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8957 -3.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 -2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -3.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -2.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -3.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8716 -3.6172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1752 -3.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -2.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8702 1.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4255 -4.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3737 4.4282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8636 3.5908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1736 4.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5394 5.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 4.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 19 1 1 1 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 14 3 1 6 0 0 0 3 51 1 0 0 0 0 22 4 1 6 0 0 0 4 59 1 0 0 0 0 5 24 1 0 0 0 0 5 60 1 0 0 0 0 6 26 1 0 0 0 0 6 61 1 0 0 0 0 7 25 2 0 0 0 0 8 30 1 0 0 0 0 8 63 1 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 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 62 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 > 31703 > 1 > 977 > 12 > 6 > 5 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICCAAkIAAIiIFGCMgfNzaGtRqicWAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (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 > (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 > (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 > (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 > (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 > (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 > InChI=1S/C27H29NO11/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/t10-,13-,15-,17-,22+,27-/m0/s1 > AOJJSUZBOXZQNB-TZSSRYMLSA-N > 1.3 > 543.17406074 > C27H29NO11 > 543.5 > 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 > 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 > 206 > 543.17406074 > 0 > 39 > 6 > 0 > 0 > 0 > 0 > 1 > 81 > 1 5 255 > 13 1 6 19 1 5 21 12 6 17 18 8 17 24 8 18 26 8 23 29 6 24 27 8 26 28 8 27 28 8 14 3 6 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 22 4 6 $$$$