69780209 -OEChem-05132401052D 98100 0 1 0 0 0 0 0999 V2000 4.7956 4.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 5.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 5.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 5.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 5.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 5.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 1.0864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2473 1.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 3.6485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 2.6210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7956 3.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6616 2.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 2.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9017 2.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5277 3.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 4.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 2.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 4.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 3.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 2.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2588 4.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 4.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 3.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1074 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3755 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0602 1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5211 1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 1.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 1.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8152 1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 5.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 1.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 0.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3692 0.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 0.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 0.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0888 1.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 5.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9434 5.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 2.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7383 3.9755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 3.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 3.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 5.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7913 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6408 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4236 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 1.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 0.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 0.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 8.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 8.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 9.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 9.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 1 55 1 0 0 0 0 2 19 2 0 0 0 0 3 21 1 0 0 0 0 3 62 1 0 0 0 0 4 25 1 0 0 0 0 4 63 1 0 0 0 0 5 22 2 0 0 0 0 6 30 1 0 0 0 0 6 68 1 0 0 0 0 7 31 2 0 0 0 0 8 47 1 0 0 0 0 8 98 1 0 0 0 0 9 47 2 0 0 0 0 17 10 1 6 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 27 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 31 1 0 0 0 0 12 66 1 0 0 0 0 12 67 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 48 1 1 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 51 1 6 0 0 0 17 22 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 25 2 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 31 1 0 0 0 0 25 26 1 0 0 0 0 26 30 2 0 0 0 0 27 32 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 39 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 38 80 1 0 0 0 0 39 41 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 41 43 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 44 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 45 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 44 46 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 47 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 M END > 69780209 > 1 > 1100 > 11 > 6 > 13 > AAADcfB/PAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBAAAAHgAQCAAADWzBmAQyzoNAAgCIAqXSWAKCAAAhIgAIiAHObMgJJz7KkLOEcAhn4BFJ2Qe+zvCugEABQAAaAADAgAaAADQAAAAAAAAAAA== > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dodecanoic acid > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dodecanoic acid > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dodecanoic acid > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dodecanoic acid > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;dodecanoic acid > (4S,4aR,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-diketo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;lauric acid > InChI=1S/C23H27N3O7.C12H24O2/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32);2-11H2,1H3,(H,13,14)/t9-,11+,17-,23-;/m0./s1 > ISIPJFZMZNDCSX-HQUCKCIJSA-N > 657.36253021 > C35H51N3O9 > 657.8 > CCCCCCCCCCCC(=O)O.CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C > CCCCCCCCCCCC(=O)O.CN(C)[C@H]1[C@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C > 202 > 657.36253021 > 0 > 47 > 4 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 1 6 17 10 6 13 48 5 16 51 6 23 26 8 23 27 8 26 30 8 27 32 8 30 33 8 32 33 8 $$$$