CDK 1028232201 53 54 0 0 0 0 0 0 0 0999 V2000 9.2881 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5736 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 -0.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9137 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7772 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 -1.2132 0.0000 C 0 0 2 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 7.1447 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0609 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6173 -0.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 0.8166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 4.5375 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 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 0.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 -0.1982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 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 3.4883 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 4.5375 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 9.2881 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 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 1 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 1 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 6 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 1 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 1 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 48 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 31 36 1 0 0 0 0 40 47 1 0 0 0 0 M END > CHEBI:199108 > Tumescenamide B > 2 > N-[(3Z,6R,9S,12S,15S,16S)-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]-2,4,6-trimethylnonanamide > C40H63N5O8 > 741.971 > 741.46766 > 0 > O=C/1O[C@H]([C@H](NC(=O)C(CC(CC(CCC)C)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/C40H63N5O8/c1-11-13-24(7)19-25(8)20-26(9)35(47)45-34-27(10)53-40(52)30(12-2)41-36(48)32(21-28-14-16-29(46)17-15-28)43-38(50)33(23(5)6)44-37(49)31(18-22(3)4)42-39(34)51/h12,14-17,22-27,31-34,46H,11,13,18-21H2,1-10H3,(H,41,48)(H,42,51)(H,43,50)(H,44,49)(H,45,47)/b30-12-/t24?,25?,26?,27-,31-,32+,33-,34-/m0/s1 > JDEKCDUJAJBUDG-ADOXOQEKSA-N $$$$