null CDK 0224162322 null 42 46 0 0 0 0 0 0 0 0999 V2000 -5.9834 2.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2991 2.2334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2991 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 0.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7075 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7075 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1241 2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4398 2.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4220 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1364 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1364 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4220 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8509 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5654 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5654 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2798 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9943 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7088 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7088 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9943 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2798 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4233 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1377 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 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 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 1 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 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 2 1 0 0 0 0 13 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 11 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 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 22 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 M END > CHEBI:102471 > N-[(2S,4aR,12aR)-5-methyl-2-[2-[3-(4-morpholinyl)propylamino]-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide > 2 > C31H40N4O7 > 580.673 > 580.28970 > 0 > CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)CC(=O)NCCCN5CCOCC5 > InChI=1S/C31H40N4O7/c1-34-26-9-8-24(19-29(36)32-11-4-12-35-13-15-40-16-14-35)42-28(26)20-41-27-10-7-22(18-25(27)31(34)38)33-30(37)21-5-3-6-23(17-21)39-2/h3,5-7,10,17-18,24,26,28H,4,8-9,11-16,19-20H2,1-2H3,(H,32,36)(H,33,37)/t24-,26+,28-/m0/s1 > ADKYEMYUARXISC-YIOBJHAYSA-N > LSM-13821 $$$$