69780641 -OEChem-03282413002D 101101 0 1 0 0 0 0 0999 V2000 8.7698 4.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 0.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0198 4.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7698 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5182 0.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2397 3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3555 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2436 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 9.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 7.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8413 11.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0214 4.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 1.8664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6359 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7698 3.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9038 1.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0099 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5298 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6359 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7698 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0099 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5298 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1038 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0198 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1612 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8932 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3670 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2397 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7073 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8413 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5733 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4394 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1092 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3054 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1714 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0374 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6399 2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6293 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2329 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5531 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7036 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4865 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3068 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7036 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3599 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6279 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4337 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0516 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8466 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8466 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8888 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3088 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1059 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2398 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4428 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9719 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1748 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5767 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0408 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8379 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5078 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7039 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9069 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8447 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7729 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5700 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3474 8.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 9.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7275 9.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 8.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 11.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3044 11.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 1 0 0 0 1 57 1 0 0 0 0 19 2 1 1 0 0 0 2 58 1 0 0 0 0 21 3 1 6 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 24 1 0 0 0 0 5 67 1 0 0 0 0 6 27 1 0 0 0 0 6 68 1 0 0 0 0 7 26 2 0 0 0 0 8 34 1 0 0 0 0 8 73 1 0 0 0 0 9 35 2 0 0 0 0 10 49 1 0 0 0 0 10 97 1 0 0 0 0 11 49 2 0 0 0 0 12 98 1 0 0 0 0 12 99 1 0 0 0 0 13100 1 0 0 0 0 13101 1 0 0 0 0 20 14 1 1 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 35 1 0 0 0 0 15 71 1 0 0 0 0 15 72 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 1 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 51 1 1 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 24 28 2 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 34 1 0 0 0 0 31 36 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 37 2 0 0 0 0 36 37 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 42 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 43 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 42 44 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 45 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 47 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 48 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 49 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 M END > 69780641 > 1 > 1140 > 14 > 10 > 12 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADXzhmAYyDoNAAgCIAqHSGAKCAAAgIAAIiAHOCMgJNz6KkTKEcAAn4BEJmQf+/veugAABAAAYAADAAAYQADAAAAAAAAAAAA== > (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;dodecanoic acid;dihydrate > (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;dodecanoic acid;dihydrate > (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;dodecanoic acid;dihydrate > (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;dodecanoic acid;dihydrate > (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;dodecanoic acid;dihydrate > (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;lauric acid;dihydrate > InChI=1S/C22H24N2O9.C12H24O2.2H2O/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;1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);2-11H2,1H3,(H,13,14);2*1H2/t12-,13-,14+,17+,21-,22+;;;/m1.../s1 > FTCFSTWXMITLMF-QLIALXNNSA-N > 696.34693972 > C34H52N2O13 > 696.8 > CCCCCCCCCCCC(=O)O.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.O.O > CCCCCCCCCCCC(=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.O.O > 241 > 696.34693972 > 0 > 49 > 6 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 18 1 5 20 14 5 16 50 5 17 51 5 19 2 5 25 30 8 25 31 8 21 3 6 30 34 8 31 36 8 34 37 8 36 37 8 $$$$