null CDK 0224162315 null 31 34 0 0 0 0 0 0 0 0999 V2000 -4.5004 2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 2.0906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 1.2656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0493 -2.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -3.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -2.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5516 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4987 -4.2947 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -1.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 16 11 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 20 31 1 6 0 0 0 M END > CHEBI:101142 > 2-[(3R,6aS,8R,10aS)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone > 2 > C23H34FN3O4 > 435.533 > 435.25333 > 0 > CN1CCN(CC1)C(=O)C[C@H]2CC[C@H]3[C@H](O2)COC[C@@H](CN3CC4=CC(=CC=C4)F)O > InChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m1/s1 > UZQWVSGPDQQYNK-YUMYIRISSA-N > LSM-12511 $$$$