null CDK 0225161902 null 33 37 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 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 N 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 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 6 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 M END > CHEBI:117374 > N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide > 2 > C25H29N3O5 > 451.516 > 451.21072 > 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=NC=C5 > InChI=1S/C25H29N3O5/c29-14-22-25-20(11-18(32-22)12-23(30)27-13-16-5-7-26-8-6-16)19-10-17(3-4-21(19)33-25)28-24(31)9-15-1-2-15/h3-8,10,15,18,20,22,25,29H,1-2,9,11-14H2,(H,27,30)(H,28,31)/t18-,20-,22-,25+/m1/s1 > MZEYKMYWBLWBBR-HWZPKBPFSA-N > LSM-28823 $$$$