null CDK 0224162307 null 42 47 0 0 0 0 0 0 0 0999 V2000 6.4235 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9755 -1.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7206 -2.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9136 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3615 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 -0.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 1.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.0256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5214 0.2410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9694 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -0.2006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0925 0.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 1.1971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2046 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 2.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -1.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -2.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -3.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7288 -4.3937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2809 -5.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3428 -4.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 -3.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -5.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 -6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -6.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -7.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -7.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -7.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -6.8461 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 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 13 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 18 19 1 6 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 17 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 0 0 0 0 20 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 M END > CHEBI:99929 > N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide > 2 > C33H36N2O7 > 572.649 > 572.25225 > 0 > C1COCCC1C(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCC5=CC=C(C=C5)OC6=CC=CC=C6 > InChI=1S/C33H36N2O7/c36-20-30-32-28(27-16-23(8-11-29(27)42-32)35-33(38)22-12-14-39-15-13-22)17-26(41-30)18-31(37)34-19-21-6-9-25(10-7-21)40-24-4-2-1-3-5-24/h1-11,16,22,26,28,30,32,36H,12-15,17-20H2,(H,34,37)(H,35,38)/t26-,28+,30-,32-/m1/s1 > MARYDHBQWVLAFX-WJDOUZETSA-N > LSM-11308 $$$$