30323 -OEChem-10101305022D 67 71 0 1 0 0 0 0 0999 V2000 5.9812 0.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 0.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5669 -2.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 2.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 0.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 -3.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 -1.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 0.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4780 -3.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3153 0.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 3.5241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 -0.4956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0636 -2.0511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0636 -1.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 -2.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 -2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 1.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1326 2.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 2.5242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4007 2.0342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3891 1.0343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7296 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -2.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 -2.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4896 -0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4896 -2.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3957 -1.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3957 -2.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3268 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2706 -0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2706 -2.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1754 1.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 -0.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8545 -0.4258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 -1.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -3.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3743 -3.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 1.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 2.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 2.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 1.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3819 0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -3.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 1.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 3.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7507 3.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 -2.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -3.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 -3.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2666 0.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1927 -3.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3197 -3.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8063 -0.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8063 -2.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4916 0.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7088 1.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8593 1.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 18 1 1 6 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 13 3 1 6 0 0 0 3 50 1 0 0 0 0 21 4 1 1 0 0 0 4 59 1 0 0 0 0 5 23 1 0 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 24 2 0 0 0 0 8 30 2 0 0 0 0 9 31 2 0 0 0 0 10 34 1 0 0 0 0 10 38 1 0 0 0 0 20 11 1 1 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 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 28 1 1 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 35 62 1 0 0 0 0 36 37 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 M END > 30323 > 1 > 527.51986 > 527.179146 > 527.179146 > C27H29NO10 > InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 > STQGQHZAVUOBTE-VGBVRHCVSA-N > 1.8 > CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)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=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N)O > (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-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-4-methoxy-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-4-methoxy-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-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone > (7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-9-ethanoyl-4-methoxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione > 5 > 11 > 4 > 960 > 186 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADBQAAAHgAQCAAADHzxmAcyDoBABgCIAqBSAAICCAAkIAAIiIFGCMgfNzaGtRqicWAn8BEPuYfL7PzOwQADAAAYAADCAAYQADAAAAAAAAAAAA== > 0 > 38 > 6 > 0 > 0 > 0 > 0 > 1 > 54 > 1 3 > 12 1 6 18 1 6 20 11 5 16 17 8 16 23 8 17 25 8 22 28 5 23 26 8 25 27 8 26 27 8 13 3 6 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 21 4 5 $$$$