null CDK 0224162317 null 35 39 0 0 0 0 0 0 0 0999 V2000 9.4386 -3.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6316 -3.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0796 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -3.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7206 -2.4814 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 7.7825 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3345 -2.1384 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 N 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 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -0.2006 0.0000 C 0 0 1 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 2 0 0 0 0 0 0 0 0 0 2.6014 1.0256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4084 1.1971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9604 0.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 2.1533 0.0000 O 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 0 0 0 0 0 0 0 0 0 0 1.5214 0.2410 0.0000 C 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -0.0925 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3896 -0.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 -1.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1866 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 0.8775 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 6 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 11 13 1 0 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 18 20 1 6 0 0 0 20 21 1 0 0 0 0 17 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 16 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 32 1 0 0 0 0 M END > CHEBI:101663 > N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide > 2 > C27H32N2O6 > 480.554 > 480.22604 > 0 > COC1=CC=C(C=C1)CNC(=O)C[C@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5 > InChI=1S/C27H32N2O6/c1-33-19-8-5-16(6-9-19)14-28-25(31)13-20-12-22-21-11-18(29-27(32)17-3-2-4-17)7-10-23(21)35-26(22)24(15-30)34-20/h5-11,17,20,22,24,26,30H,2-4,12-15H2,1H3,(H,28,31)(H,29,32)/t20-,22+,24+,26-/m1/s1 > QQFSWHWRRZLIPD-GRTAZNFBSA-N > LSM-13026 $$$$