11969781 -OEChem-04252400222D 83 88 0 1 0 0 0 0 0999 V2000 6.0010 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 2.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7497 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7960 4.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 3.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 5.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4976 0.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5447 4.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3342 0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8517 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -1.8517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.3517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 1.1483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.3517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1130 2.7141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1010 1.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9011 1.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9127 2.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -4.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7613 1.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6264 3.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 1.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6446 2.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 4.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5447 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4327 1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4447 2.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3573 1.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 3.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3198 2.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1884 -0.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5386 0.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 1.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 3.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6369 3.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 0.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -4.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -4.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7949 2.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6085 4.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 4.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2627 4.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -5.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -5.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 3.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 5.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8393 1.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8591 2.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8661 -1.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7181 -0.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5108 0.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 68 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 21 5 1 1 0 0 0 5 69 1 0 0 0 0 6 29 1 0 0 0 0 6 41 1 0 0 0 0 7 31 1 0 0 0 0 7 72 1 0 0 0 0 8 33 1 0 0 0 0 8 73 1 0 0 0 0 9 32 2 0 0 0 0 10 36 1 0 0 0 0 10 78 1 0 0 0 0 11 37 2 0 0 0 0 12 38 2 0 0 0 0 13 42 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 52 1 0 0 0 0 20 28 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 33 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 34 2 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 43 77 1 0 0 0 0 44 45 1 0 0 0 0 44 79 1 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 M END > 11969781 > 1 > 1160 > 14 > 5 > 7 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAA8aMGCAAAAAADBQAAAHgAACAAADHzxmAcyDoMABgCIAqBSAAICCAAkIAAIiAFOCMgfNzaGtRqncWAn4BGfuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > (9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-(2-methoxymorpholin-4-yl)-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione > (9S)-6,9,11-trihydroxy-7-[[5-hydroxy-4-(2-methoxy-4-morpholinyl)-6-methyl-2-oxanyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione > (9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-(2-methoxymorpholin-4-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione > (9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[5-hydroxy-4-(2-methoxymorpholin-4-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione > (9S)-4-methoxy-7-[4-(2-methoxymorpholin-4-yl)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione > (9S)-9-glycoloyl-6,9,11-trihydroxy-7-[5-hydroxy-4-(2-methoxymorpholino)-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone > InChI=1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14?,17?,19?,21?,22?,27?,32-/m0/s1 > CTMCWCONSULRHO-WQKZQJHCSA-N > 1.7 > 643.22649023 > C32H37NO13 > 643.6 > CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O > CC1C(C(CC(O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O > 202 > 643.22649023 > 0 > 46 > 1 > 6 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 1 3 19 1 3 15 14 3 20 28 3 23 25 8 23 31 8 25 33 8 17 3 3 31 34 8 33 35 8 34 35 8 39 40 8 39 42 8 40 43 8 42 44 8 43 45 8 44 45 8 21 5 5 29 6 3 $$$$