Mrv1652304292201212D 20 22 0 0 1 0 999 V2000 0.1593 0.4941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1593 -0.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8044 -0.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6087 -0.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 0.0816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6087 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 1.0085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0361 0.0816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 0.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 1.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 1.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 0.1286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 -0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -0.6888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 0.8521 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 1 0 0 0 3 8 1 1 0 0 0 8 9 1 0 0 0 0 5 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 13 17 1 0 0 0 0 17 18 1 0 0 0 0 2 19 1 6 0 0 0 1 20 1 1 0 0 0 M END > NP0078257 > NP-MRD > CN1[C@H]2C[C@@H](C[C@@H]1[C@H](O)[C@H]2O)OC(=O)C1=CC=CN1C > InChI=1S/C14H20N2O4/c1-15-5-3-4-9(15)14(19)20-8-6-10-12(17)13(18)11(7-8)16(10)2/h3-5,8,10-13,17-18H,6-7H2,1-2H3/t8-,10-,11+,12-,13-/m0/s1 > MVCDWVMMIFQPIY-UPXOXWNWSA-N > C14H20N2O4 > 280.324 > 280.142307132 > 4 > 40 > 28.803124846790645 > 1 > 2 > 0 > 1 > (1R,3S,5S,6S,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1-methyl-1H-pyrrole-2-carboxylate > 0.09 > -0.08557047833333419 > -1.37 > 0 > 3 > 1 > 14.682305955098585 > 13.258814534954006 > 8.325686291550191 > 74.93 > 72.3638 > 3 > 1 > 1.19e+01 g/l > (1R,3S,5S,6S,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 1-methylpyrrole-2-carboxylate > 0 > NP0078257 > 7beta-Hydroxycatuabine I $$$$