CDK 9/10/12,15:49 49 50 0 0 0 0 0 0 0 0999 V2000 12.0355 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3025 -1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 -2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0244 -2.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 -4.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0188 -3.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8617 -2.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8617 -3.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1779 -4.1670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8595 -1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5706 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5811 -2.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1760 -4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 -4.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 -0.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0079 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1602 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8632 -0.4524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4763 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1601 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3421 0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1392 -1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2874 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1457 -2.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5773 -4.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5830 -4.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2872 -3.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4628 -3.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8915 -5.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1349 -5.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3403 -5.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3448 -6.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2986 -4.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 -2.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5764 -2.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8630 -2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 -2.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7537 -1.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2858 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2752 0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4302 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0004 -1.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2870 -0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 -2.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9700 -1.5912 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12.7284 0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 24 1 0 0 0 0 8 9 1 6 0 0 0 7 25 2 0 0 0 0 10 11 1 0 0 0 0 8 26 1 0 0 0 0 7 12 1 0 0 0 0 26 27 1 0 0 0 0 11 12 1 6 0 0 0 26 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 14 5 1 6 0 0 0 13 30 2 0 0 0 0 14 13 1 0 0 0 0 18 15 1 6 0 0 0 14 31 1 0 0 0 0 10 19 1 0 0 0 0 31 32 1 0 0 0 0 17 16 1 6 0 0 0 31 33 1 0 0 0 0 15 16 1 0 0 0 0 6 34 2 0 0 0 0 17 1 1 0 0 0 0 4 35 1 6 0 0 0 18 19 1 0 0 0 0 3 36 1 0 0 0 0 36 37 1 0 0 0 0 1 2 1 0 0 0 0 37 38 1 0 0 0 0 3 2 1 1 0 0 0 1 39 2 0 0 0 0 3 4 1 0 0 0 0 17 40 1 0 0 0 0 5 6 1 0 0 0 0 40 41 1 0 0 0 0 19 20 1 0 0 0 0 40 42 1 0 0 0 0 20 21 1 0 0 0 0 15 43 2 0 0 0 0 21 22 1 0 0 0 0 24 44 1 0 0 0 0 18 22 1 0 0 0 0 24 45 1 0 0 0 0 6 4 1 0 0 0 0 38 46 1 0 0 0 0 10 23 2 0 0 0 0 46 47 3 0 0 0 0 7 8 1 0 0 0 0 47 48 1 0 0 0 0 16 49 1 0 0 0 0 M END > CHEBI:67331 > Veraguamide B > A natural product found in Symploca hydnoides and Oscillatoria margaritifera PAC-17-FEB-10-2. > 2 > C36H57BrN4O8 > 753.76400 > 752.33598 > 0 > CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C > InChI=1S/C36H57BrN4O8/c1-20(2)27-33(44)40(11)29(22(5)6)36(47)49-30(23(7)8)34(45)41-19-15-16-25(41)32(43)39(10)28(21(3)4)35(46)48-26(17-13-12-14-18-37)24(9)31(42)38-27/h20-30H,12-13,15-17,19H2,1-11H3,(H,38,42)/t24-,25-,26+,27-,28-,29-,30-/m0/s1 > UQYHDSHIIDYSSP-PYYGQVSISA-N > 21446699; 21488639 $$$$