CDK 1030232200 32 33 0 0 0 0 0 0 0 0999 V2000 4.2869 -3.7125 0.0000 O 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 5.0013 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 1 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 6.4302 -2.4750 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 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 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 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 1 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 2.8579 1.2375 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 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 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 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -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 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 2 3 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 15 13 1 0 0 0 0 14 16 2 3 0 0 0 15 17 1 6 0 0 0 18 15 1 0 0 0 0 16 19 1 0 0 0 0 20 17 1 6 0 0 0 18 21 1 1 0 0 0 22 18 1 0 0 0 0 19 23 2 3 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 1 6 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 27 29 2 3 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 22 25 1 0 0 0 0 30 31 2 3 0 0 0 M END > CHEBI:206014 > Pretilactam > 2 > (1R,5E,9R,11E,21Z,23R,25R,26S)-25,26-dihydroxy-9,18-dimethyl-27-oxa-8-azabicyclo[21.3.1]heptacosa-3,5,11,13,15,17,19,21-octaen-7-one > C27H35NO4 > 437.580 > 437.25661 > 0 > O=C1N[C@@H](CC=CC=CC=CC=C(C=CC=C[C@@H]2O[C@H](CC=CC=C1)[C@@H](O)[C@H](O)C2)C)C > InChI=1S/C27H35NO4/c1-21-14-8-5-3-4-6-9-16-22(2)28-26(30)19-11-7-10-18-25-27(31)24(29)20-23(32-25)17-13-12-15-21/h3-15,17,19,22-25,27,29,31H,16,18,20H2,1-2H3,(H,28,30)/b4-3?,8-5?,9-6+,10-7?,15-12?,17-13-,19-11+,21-14?/t22-,23+,24-,25-,27+/m1/s1 > ZSTCCVJYKCWCOU-JFVUHASKSA-N $$$$