null CDK 0224162227 null 39 43 0 0 0 0 0 0 0 0999 V2000 8.8444 -0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 -0.7407 0.0000 O 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 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 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 2 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 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 -1.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -0.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6175 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 0.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4245 0.0439 0.0000 F 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 8 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 6 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 2 0 0 0 0 30 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 36 39 1 0 0 0 0 M END > CHEBI:97761 > 2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide > 2 > C28H29FN2O7S > 556.605 > 556.16795 > 0 > COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)F > InChI=1S/C28H29FN2O7S/c1-36-24-5-3-2-4-17(24)15-30-27(33)14-20-13-23-22-12-19(8-11-25(22)38-28(23)26(16-32)37-20)31-39(34,35)21-9-6-18(29)7-10-21/h2-12,20,23,26,28,31-32H,13-16H2,1H3,(H,30,33)/t20-,23-,26-,28+/m0/s1 > CRNISVWSFUFTQR-YFRXONQNSA-N > LSM-9140 $$$$