null CDK 0224162312 null 32 36 0 0 0 0 0 0 0 0999 V2000 -3.3415 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 0.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 -0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0303 -1.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3876 -1.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5628 -1.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0950 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 -1.7619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0964 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8999 -0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1393 -1.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 -1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 -2.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9427 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5067 -0.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 -1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 -1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9856 -2.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -2.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -2.0968 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 -0.9561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9502 -0.4581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 1.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8103 1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -3.1372 0.0000 O 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 5 3 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 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 14 1 0 0 0 0 14 9 1 0 0 0 0 14 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 19 22 1 0 0 0 0 23 10 1 6 0 0 0 23 7 1 0 0 0 0 23 24 1 0 0 0 0 24 5 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 27 1 0 0 0 0 6 31 1 1 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:100668 > (2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester > 2 > C24H25FN2O5 > 440.465 > 440.17475 > 0 > COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]2N1C(=O)C5CCC5)CO > InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m1/s1 > YQHVQTZYSLOMSV-RMVXJAJNSA-N > LSM-12042 $$$$