null CDK 0225161910 null 38 42 0 0 0 0 0 0 0 0999 V2000 5.8714 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 -0.6422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8929 0.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -1.4491 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 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 6 1 0 0 0 0 9 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 16 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 26 1 0 0 0 0 29 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:123029 > 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide > 2 > C28H30N2O7S > 538.614 > 538.17737 > 0 > CS(=O)(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5 > InChI=1S/C28H30N2O7S/c1-38(33,34)30-19-9-12-25-23(13-19)24-14-22(36-26(17-31)28(24)37-25)15-27(32)29-16-18-7-10-21(11-8-18)35-20-5-3-2-4-6-20/h2-13,22,24,26,28,30-31H,14-17H2,1H3,(H,29,32)/t22-,24+,26-,28-/m1/s1 > DXWDIHWCVARGHC-UQCMEGJUSA-N > LSM-34472 $$$$