null CDK 0224162317 null 38 43 0 0 0 0 0 0 0 0999 V2000 10.9027 4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7232 4.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2081 3.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 2.8467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0521 2.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5671 3.4279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7825 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7825 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5671 2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3536 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 3.5854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 4.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 3.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 3.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3575 2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0219 1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0587 5.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8792 5.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2148 5.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3641 4.4403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1846 4.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6695 3.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4900 3.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9750 3.2779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6394 2.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 2.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3340 3.1054 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 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 5 9 1 6 0 0 0 8 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 7 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 19 1 0 0 0 0 4 26 1 6 0 0 0 26 27 1 0 0 0 0 2 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 M END > CHEBI:101680 > N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide > 2 > C28H27N3O7 > 517.531 > 517.18490 > 0 > C1[C@H](O[C@@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5)CO)CC(=O)NCC6=CN=CC=C6 > InChI=1S/C28H27N3O7/c32-14-25-27-21(10-19(37-25)11-26(33)30-13-16-2-1-7-29-12-16)20-9-18(4-6-22(20)38-27)31-28(34)17-3-5-23-24(8-17)36-15-35-23/h1-9,12,19,21,25,27,32H,10-11,13-15H2,(H,30,33)(H,31,34)/t19-,21-,25+,27+/m0/s1 > PHEIPYKARIAFSI-ZTUCRWOVSA-N > LSM-13043 $$$$