null CDK 0224162312 null 40 44 0 0 0 0 0 0 0 0999 V2000 1.2358 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 3.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 3.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 3.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8761 3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 2.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 1.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 0.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3694 1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9114 -0.3844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9114 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3281 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9197 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9197 -0.3844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2053 -1.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7763 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -2.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -2.8594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -2.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -4.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -4.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -6.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0816 -6.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -6.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -5.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6736 -0.0687 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 19 12 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 22 24 1 1 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 14 40 1 1 0 0 0 M END > CHEBI:100642 > (3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide > 2 > C31H41N3O6 > 551.675 > 551.29954 > 0 > COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O > InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m1/s1 > PLPDORRRKBPITR-VSUKXTEZSA-N > LSM-12016 $$$$