CDK 1030232202 35 38 0 0 0 0 0 0 0 0999 V2000 7.0711 -4.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -3.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -3.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -3.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2244 -2.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 -3.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6369 -1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 -3.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -2.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7413 -0.1289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6279 -1.6820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2605 0.5123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8743 -2.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -0.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0143 0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7132 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1069 1.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1258 0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2761 2.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2995 1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3542 0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 0.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4926 1.5475 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 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 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 6 0 0 0 11 13 1 1 0 0 0 11 14 1 0 0 0 0 15 12 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 20 15 1 6 0 0 0 15 21 1 1 0 0 0 22 16 1 6 0 0 0 17 23 2 0 0 0 0 19 24 2 3 0 0 0 25 20 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 30 25 1 0 0 0 0 25 31 1 1 0 0 0 26 32 2 0 0 0 0 29 33 2 0 0 0 0 30 34 1 6 0 0 0 34 35 1 0 0 0 0 17 19 1 0 0 0 0 20 22 1 0 0 0 0 27 30 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:219413 > Pactamide C > 2 > (3E,5E,8S,9R,10R,11S,13S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione > C29H38N2O4 > 478.633 > 478.28316 > 0 > O=C1NCCC[C@@H]2NC(=O)C(C2=O)=C(O)C=CC=CC[C@H]3[C@H](C=CC=C1)C[C@@H]4C[C@@H]([C@H]([C@H]34)C)CC > InChI=1S/C29H38N2O4/c1-3-19-16-21-17-20-10-7-8-14-25(33)30-15-9-12-23-28(34)27(29(35)31-23)24(32)13-6-4-5-11-22(20)26(21)18(19)2/h4-8,10,13-14,18-23,26,32H,3,9,11-12,15-17H2,1-2H3,(H,30,33)(H,31,35)/b5-4+,10-7+,13-6+,14-8+,27-24?/t18-,19+,20-,21+,22+,23+,26+/m1/s1 > MONDIPJFMDTDAR-ARKFDTLDSA-N $$$$