156935 -OEChem-04242405472D 108114 0 1 0 0 0 0 0999 V2000 12.3923 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1410 0.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1872 -3.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8889 0.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9359 -3.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7735 -3.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.4302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 -1.0941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 2.4301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3923 -0.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 1.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5263 1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 0.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5043 -2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2924 -1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4162 -2.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3039 -2.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9856 -0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1526 -0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1757 -2.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9856 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0243 -1.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0359 -2.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 0.9302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9120 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9359 -2.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8240 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8360 -2.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7735 -2.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7486 -0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7111 -2.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6985 -0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8548 -0.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 2.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8922 -2.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3020 -2.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0282 -3.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8262 -3.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5665 -0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8732 0.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 0.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1864 -1.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9808 0.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3656 -0.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 -0.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 3.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 4.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 4.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 4.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6743 0.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6539 -3.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7343 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2504 -2.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2306 -0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3105 -3.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 6 0 0 0 21 1 1 6 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 19 3 1 1 0 0 0 28 3 1 1 0 0 0 16 4 1 1 0 0 0 4 78 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 29 6 1 6 0 0 0 41 6 1 6 0 0 0 31 7 1 6 0 0 0 7 98 1 0 0 0 0 8 41 1 0 0 0 0 8 46 1 0 0 0 0 9 34 1 0 0 0 0 9 99 1 0 0 0 0 10 35 1 0 0 0 0 10100 1 0 0 0 0 45 11 1 1 0 0 0 11105 1 0 0 0 0 12 47 2 0 0 0 0 13 48 2 0 0 0 0 14 52 1 0 0 0 0 14108 1 0 0 0 0 17 15 1 1 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 56 1 0 0 0 0 18 24 1 0 0 0 0 18 57 1 0 0 0 0 19 22 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 22 33 1 1 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 2 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 70 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 32 42 1 6 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 38 1 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 43 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 43 44 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 45 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 46 1 0 0 0 0 45 96 1 0 0 0 0 46 51 1 1 0 0 0 46 97 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 50 2 0 0 0 0 49 53 1 0 0 0 0 50 52 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52 54 2 0 0 0 0 53 55 2 0 0 0 0 53104 1 0 0 0 0 54 55 1 0 0 0 0 54106 1 0 0 0 0 55107 1 0 0 0 0 M END > 156935 > 1 > 1370 > 15 > 6 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAA0aNGCAAAAAADBQAAAHgAACAAADHzxmAcyDoMABgCIAqBSAAACAAAkIAAIiAEOCMgbNzaCtRqncUAn4BEfuYfL7PzOwQADAAAYAADCAAYAADCAAAAAAAAAAA== > (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (9R,10R)-10-[[(2S,4S,5S,6S)-4-(dimethylamino)-5-[[(2S,4S,5S,6S)-4-hydroxy-5-[[(2S,5S,6S)-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione > (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,4S,5S,6S)-6-methyl-5-[(2S,5S,6S)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione > (9R,10R)-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,5S,6S)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-quinone > InChI=1S/C40H53NO14/c1-7-40(49)14-13-21-30(36(48)32-31(34(21)46)35(47)29-20(33(32)45)9-8-10-24(29)43)39(40)55-27-15-22(41(5)6)37(18(3)51-27)54-28-16-25(44)38(19(4)52-28)53-26-12-11-23(42)17(2)50-26/h8-10,17-19,22-23,25-28,37-39,42-44,46,48-49H,7,11-16H2,1-6H3/t17-,18-,19-,22-,23-,25-,26-,27-,28-,37+,38+,39+,40+/m0/s1 > MYQIMJTUIOIEOX-LVWNLLCFSA-N > 3.9 > 771.34660536 > C40H53NO14 > 771.8 > CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)OC5CCC(C(O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O > CC[C@]1(CCC2=C([C@H]1O[C@H]3C[C@@H]([C@@H]([C@@H](O3)C)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O[C@H]5CC[C@@H]([C@@H](O5)C)O)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)O > 214 > 771.34660536 > 0 > 55 > 13 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 18 1 6 21 1 6 45 11 5 17 15 5 22 33 5 24 26 8 24 34 8 26 35 8 19 3 5 28 3 5 32 42 6 34 37 8 35 38 8 37 38 8 16 4 5 46 51 5 49 50 8 49 53 8 50 52 8 52 54 8 53 55 8 54 55 8 29 6 6 41 6 6 31 7 6 $$$$