54747625 -OEChem-05102422442D 82 84 0 1 0 0 0 0 0999 V2000 4.9338 9.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 6.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 9.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 5.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 5.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 8.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5194 5.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 5.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3043 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0364 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 9.5835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 7.0214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 8.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7998 8.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9338 8.5489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0678 7.0489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1738 8.5836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6938 8.5836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7998 7.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 8.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 8.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6938 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2678 7.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1838 9.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5998 7.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 8.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 10.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 10.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 6.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4037 6.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 8.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 7.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5723 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3043 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7062 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1703 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 8.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 7.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 8.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 8.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 9.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 9.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6505 9.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 9.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 5.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8675 9.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 9.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 10.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7919 10.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 9.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 9.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 10.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 10.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2335 5.4559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2155 5.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 8.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0105 6.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 7.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7674 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5688 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8412 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1693 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5733 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4372 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 54 1 0 0 0 0 22 2 1 1 0 0 0 2 55 1 0 0 0 0 24 3 1 6 0 0 0 3 56 1 0 0 0 0 4 26 2 0 0 0 0 5 27 1 0 0 0 0 5 64 1 0 0 0 0 6 30 1 0 0 0 0 6 65 1 0 0 0 0 7 29 2 0 0 0 0 8 37 1 0 0 0 0 8 70 1 0 0 0 0 9 38 2 0 0 0 0 41 10 1 1 0 0 0 10 77 1 0 0 0 0 42 11 1 1 0 0 0 11 78 1 0 0 0 0 43 12 1 1 0 0 0 12 79 1 0 0 0 0 44 13 1 6 0 0 0 13 80 1 0 0 0 0 14 45 1 0 0 0 0 14 81 1 0 0 0 0 15 46 1 0 0 0 0 15 82 1 0 0 0 0 16 46 2 0 0 0 0 23 17 1 1 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 38 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 1 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 1 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 27 31 2 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 31 38 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 37 1 0 0 0 0 34 39 2 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 40 2 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 71 1 0 0 0 0 42 44 1 0 0 0 0 42 72 1 0 0 0 0 43 45 1 0 0 0 0 43 73 1 0 0 0 0 44 46 1 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 M END > 54747625 > 1 > 1170 > 17 > 13 > 7 > AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyDoNAAgCIAqHSGAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/vfugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-6-methyl-1,5,6,10,11,12a-hexakis(oxidanyl)-3,12-bis(oxidanylidene)-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid > (4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-3,12-diketo-6-methyl-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid > InChI=1S/C22H24N2O9.C6H12O7/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);2-5,7-11H,1H2,(H,12,13)/t12-,13-,14+,17+,21-,22+;2-,3+,4-,5-/m11/s1 > RADYSMSYBJQYCF-INJMFVDESA-N > 656.20648306 > C28H36N2O16 > 656.6 > CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O > C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.C([C@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O > 340 > 656.20648306 > 0 > 46 > 10 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 21 1 5 41 10 5 42 11 5 43 12 5 44 13 6 23 17 5 19 47 5 22 2 5 20 48 5 28 33 8 28 34 8 24 3 6 33 37 8 34 39 8 37 40 8 39 40 8 $$$$