3685 -OEChem-05211314342D 63 67 0 1 0 0 0 0 0999 V2000 5.9972 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1486 2.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 -2.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 2.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 0.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -3.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -1.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4940 -3.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 0.7024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 -0.3376 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0796 -1.8930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0796 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 -1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1370 1.1724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2652 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 1.1924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4166 2.1923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2884 2.6823 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7456 -0.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -1.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 -2.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 -1.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2999 3.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5829 -2.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5056 -0.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5056 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4116 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4116 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3428 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3428 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 -0.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2866 -1.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 -0.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4687 -0.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -2.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3902 -2.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1298 0.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 0.2029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8761 1.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -3.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 3.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 4.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 3.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0448 -2.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -3.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 3.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2825 0.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2086 -3.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 0.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -3.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8223 -0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8223 -2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 12 1 0 0 0 0 3 48 1 0 0 0 0 4 20 1 0 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 10 19 1 0 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 0 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 > 3685 > 1 > 912 > 10 > 5 > 3 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICAAAkIAAIiIFECMgbNzaCtRqicUAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > 9-acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > 9-acetyl-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione > 7-(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 > 9-acetyl-7-(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 > XDXDZDZNSLXDNA-UHFFFAOYSA-N > 1.9 > 497.168581 > C26H27NO9 > 497.49388 > CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O > CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O > 177 > 497.168581 > 0 > 36 > 0 > 6 > 0 > 0 > 0 > 1 > 54 > 1 5 255 > 11 1 3 17 1 3 19 10 3 15 16 8 15 22 8 16 24 8 21 27 3 22 25 8 24 26 8 25 26 8 12 3 3 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 20 4 3 $$$$