CDK 1028232202 50 51 0 0 0 0 0 0 0 0999 V2000 7.8592 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4303 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1448 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 -0.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4166 -0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 -1.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5227 -0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -1.2406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6979 0.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -0.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 0.9068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9013 0.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 8 5 1 0 0 0 0 5 9 1 6 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 6 0 0 0 8 13 1 0 0 0 0 10 14 2 0 0 0 0 15 10 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 23 18 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 6 0 0 0 24 30 2 0 0 0 0 31 24 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 31 38 1 6 0 0 0 32 39 1 0 0 0 0 33 40 2 0 0 0 0 34 41 1 0 0 0 0 34 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 38 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 2 0 0 0 0 41 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 31 36 1 0 0 0 0 40 47 1 0 0 0 0 M END > CHEBI:199346 > Tumescenamide A > 2 > N-[(3Z,6S,9R,12R,15R,16R)-3-ethylidene-6-[(4-hydroxyphenyl)methyl]-16-methyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-9-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-2,4-dimethylheptanamide > C37H57N5O8 > 699.890 > 699.42071 > 0 > O=C/1O[C@@H]([C@@H](NC(=O)C(CC(CCC)C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N\C1=C/C)=O)CC2=CC=C(O)C=C2)=O)C(C)C)CC(C)C)C > InChI=1S/C37H57N5O8/c1-10-12-22(7)18-23(8)32(44)42-31-24(9)50-37(49)27(11-2)38-33(45)29(19-25-13-15-26(43)16-14-25)40-35(47)30(21(5)6)41-34(46)28(17-20(3)4)39-36(31)48/h11,13-16,20-24,28-31,43H,10,12,17-19H2,1-9H3,(H,38,45)(H,39,48)(H,40,47)(H,41,46)(H,42,44)/b27-11-/t22?,23?,24-,28-,29+,30-,31-/m1/s1 > CUJBKWCXRLZJMY-HEQBRSJSSA-N $$$$