69780643 -OEChem-04262411572D 95 97 0 1 0 0 0 0 0999 V2000 5.6616 4.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 0.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9116 4.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 0.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 0.3593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 3.4180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 0.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 4.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 1.8664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5277 2.8939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6616 3.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7956 1.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9017 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4216 3.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5277 1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 2.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 1.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9116 4.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 3.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 4.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5211 3.7438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 3.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 3.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 4.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 4.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 3.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1986 4.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5954 4.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2517 4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 5.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 4.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0888 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 5.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 5.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 0.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9434 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 3.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 1.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 2.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 8.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 8.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 9.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 9.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 1 55 1 0 0 0 0 17 2 1 1 0 0 0 2 56 1 0 0 0 0 19 3 1 6 0 0 0 3 57 1 0 0 0 0 4 21 2 0 0 0 0 5 22 1 0 0 0 0 5 65 1 0 0 0 0 6 25 1 0 0 0 0 6 66 1 0 0 0 0 7 24 2 0 0 0 0 8 32 1 0 0 0 0 8 71 1 0 0 0 0 9 33 2 0 0 0 0 10 47 1 0 0 0 0 10 95 1 0 0 0 0 11 47 2 0 0 0 0 18 12 1 1 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 69 1 0 0 0 0 13 70 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 49 1 1 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 22 26 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 33 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 29 34 2 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 35 2 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 40 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 41 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 42 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 43 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 44 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 43 45 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 46 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 47 1 0 0 0 0 45 90 1 0 0 0 0 45 91 1 0 0 0 0 46 92 1 0 0 0 0 46 93 1 0 0 0 0 46 94 1 0 0 0 0 M END > 69780643 > 1 > 1140 > 12 > 8 > 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 > (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 > (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 > (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 > (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 > (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 > InChI=1S/C22H24N2O9.C12H24O2/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)/t12-,13-,14+,17+,21-,22+;/m1./s1 > UVHCRBRCZYYCBZ-IFLJXUKPSA-N > 660.32581035 > C34H48N2O11 > 660.8 > 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 > 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 > 239 > 660.32581035 > 0 > 47 > 6 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 16 1 5 18 12 5 14 48 5 15 49 5 17 2 5 23 28 8 23 29 8 28 32 8 29 34 8 19 3 6 32 35 8 34 35 8 $$$$