CDK 9/10/12,15:49 53 53 0 0 0 0 0 0 0 0999 V2000 -3.5672 -23.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4004 -23.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 -22.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -22.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 -21.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -21.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -22.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -21.0016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -23.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 -22.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 -20.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1214 -20.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -21.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -19.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -19.5904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0974 -18.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -18.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -19.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -19.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 -20.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -19.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3362 -19.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6085 -18.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -18.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -18.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -19.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7622 -19.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 -18.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 -20.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -19.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -21.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -18.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -19.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1967 -20.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 -19.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6182 -19.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8903 -18.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6011 -18.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -18.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 -19.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 -19.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3204 -18.6919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 -20.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7549 -19.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4742 -19.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 -18.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1849 -19.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9001 -19.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6108 -19.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 -19.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9852 -18.5641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -21.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -17.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 11 13 2 0 0 0 0 14 11 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 21 19 1 6 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 1 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 6 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 1 6 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 6 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 3 0 0 0 0 50 51 1 0 0 0 0 29 52 1 0 0 0 0 25 53 1 0 0 0 0 M END > CHEBI:67341 > Veraguamide K > A natural product found in Oscillatoria margaritifera PAC-17-FEB-10-2. > 2 > C39H65BrN4O9 > 813.85900 > 812.39349 > 0 > CCOC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)[C@H](O)CCCC#CBr)C(C)C)[C@@H](C)CC > InChI=1S/C39H65BrN4O9/c1-13-26(9)33(37(49)44-22-18-19-28(44)35(47)42(11)31(24(5)6)38(50)52-14-2)53-39(51)32(25(7)8)43(12)36(48)30(23(3)4)41-34(46)27(10)29(45)20-16-15-17-21-40/h23-33,45H,13-16,18-20,22H2,1-12H3,(H,41,46)/t26-,27-,28-,29+,30-,31-,32-,33-/m0/s1 > LUHSXKWLOOLDHE-WZBRKTEESA-N > 21488639 $$$$