42890 -OEChem-04182404192D 63 67 0 1 0 0 0 0 0999 V2000 6.0010 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2925 -3.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 -0.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8058 -4.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 2.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2616 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7791 -2.5359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8711 -2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6429 -0.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.9840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7596 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 -3.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5031 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6198 1.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4915 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2923 -3.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3956 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4835 2.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3916 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4543 3.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3333 2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 4.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3291 3.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2598 -1.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -2.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8957 -2.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 -1.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -3.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3018 -3.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9122 -3.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2827 -2.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -1.5565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9103 4.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8702 2.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3737 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8636 4.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 17 1 1 1 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 12 3 1 6 0 0 0 3 48 1 0 0 0 0 20 4 1 6 0 0 0 4 57 1 0 0 0 0 5 22 1 0 0 0 0 5 58 1 0 0 0 0 6 24 1 0 0 0 0 6 59 1 0 0 0 0 7 23 2 0 0 0 0 8 29 2 0 0 0 0 9 30 2 0 0 0 0 19 10 1 6 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 27 1 6 0 0 0 21 47 1 0 0 0 0 22 25 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END > 42890 > 1 > 912 > 10 > 5 > 3 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICAAAkIAAIiIFECMgbNzaCtRqicUAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-9-acetyl-7-[[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-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-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone > InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1 > XDXDZDZNSLXDNA-TZNDIEGXSA-N > 1.9 > 497.16858144 > C26H27NO9 > 497.5 > CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)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=CC=CC=C5C4=O)O)(C(=O)C)O)N)O > 177 > 497.16858144 > 0 > 36 > 6 > 0 > 0 > 0 > 0 > 1 > 54 > 1 5 255 > 11 1 6 17 1 5 19 10 6 15 16 8 15 22 8 16 24 8 21 27 6 22 25 8 24 26 8 25 26 8 12 3 6 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 20 4 6 $$$$