null CDK 0225161901 null 39 44 0 0 0 0 0 0 0 0999 V2000 7.0366 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 -1.0837 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 1 0 0 0 0 0 0 0 0 0 1.5214 0.2410 0.0000 C 0 0 2 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 2 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 C 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 -2.9370 -6.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7439 -6.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -5.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 -5.2769 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 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 8 1 0 0 0 0 11 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 16 17 1 1 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 15 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 18 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 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 28 1 0 0 0 0 31 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 M END > CHEBI:117318 > N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide > 2 > C32H34N2O5 > 526.624 > 526.24677 > 0 > C1CC1CC(=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)C6=CC=CC=C6 > InChI=1S/C32H34N2O5/c35-19-29-32-27(26-15-24(12-13-28(26)39-32)34-31(37)14-20-6-7-20)16-25(38-29)17-30(36)33-18-21-8-10-23(11-9-21)22-4-2-1-3-5-22/h1-5,8-13,15,20,25,27,29,32,35H,6-7,14,16-19H2,(H,33,36)(H,34,37)/t25-,27+,29+,32-/m0/s1 > NKIFYSADZLZERH-CPKYPALVSA-N > LSM-28767 $$$$