CDK 1030232202 36 39 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 0 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 3.7132 -0.0546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 2 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 2.9430 0.2411 0.0000 O 0 0 0 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 2.1827 -0.0770 0.0000 C 0 0 2 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 4.8794 0.9955 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 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 9 11 1 0 0 0 0 12 10 1 6 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 12 1 6 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 0 0 0 0 21 15 1 1 0 0 0 22 16 1 1 0 0 0 17 23 2 0 0 0 0 19 24 2 3 0 0 0 20 25 1 6 0 0 0 20 26 1 0 0 0 0 27 21 1 0 0 0 0 22 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 26 31 2 0 0 0 0 32 27 1 0 0 0 0 27 33 1 6 0 0 0 30 34 2 0 0 0 0 32 35 1 6 0 0 0 35 36 1 0 0 0 0 17 19 1 0 0 0 0 21 22 1 0 0 0 0 28 32 1 0 0 0 0 31 34 1 0 0 0 0 M END > CHEBI:222009 > (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione > 2 > (3E,5E,7R,8R,9S,10S,11S,13R,15S,16E,18E)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,5,16,18-pentaene-20,27,28-trione > C29H38N2O5 > 494.632 > 494.27807 > 0 > O=C1NCCCC2NC(=O)C(C2=O)=C(O)C=CC=C[C@H]([C@@H]3[C@H](C=CC=C1)C[C@H]4C[C@@H]([C@@H]([C@@H]34)C)CC)O > InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32-33H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4+,11-5+,12-6+,13-7+,27-23?/t17-,18-,19+,20+,21?,22+,25+,26-/m0/s1 > RKVKDOPZGFNWBV-GEPRLPOSSA-N $$$$