null CDK 0224162323 null 32 35 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 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 1 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 Cl 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 1 0 0 0 19 20 1 0 0 0 0 16 21 1 1 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 M END > CHEBI:102585 > 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide > 2 > C22H25ClN2O6S > 480.964 > 480.11219 > 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)Cl > InChI=1S/C22H25ClN2O6S/c1-32(28,29)25-15-6-7-19-17(8-15)18-9-16(30-20(12-26)22(18)31-19)10-21(27)24-11-13-2-4-14(23)5-3-13/h2-8,16,18,20,22,25-26H,9-12H2,1H3,(H,24,27)/t16-,18-,20-,22+/m0/s1 > LWPDCVYPXSZOFH-JXYHXMIBSA-N > LSM-13932 $$$$