Mrv1533004171502092D 27 30 0 0 0 0 999 V2000 -0.2175 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6075 0.8158 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8265 0.8158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1579 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 2.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8565 2.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 3.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 3.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 4.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 3.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 1.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 -0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0709 -1.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -1.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -2.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8406 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 -0.6705 0.0000 C 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 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 15 2 0 0 0 0 10 15 1 0 0 0 0 7 16 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 22 27 1 0 0 0 0 M END > NP0289889 > NP-MRD > CN1C2CC(O)C(C(O)C3=CC=CC=C3)C1CC2OC(=O)C1=CC=CC=C1 > InChI=1S/C22H25NO4/c1-23-16-12-18(24)20(21(25)14-8-4-2-5-9-14)17(23)13-19(16)27-22(26)15-10-6-3-7-11-15/h2-11,16-21,24-25H,12-13H2,1H3 > OPWGXFVDYRHRHH-UHFFFAOYSA-N > C22H25NO4 > 367.445 > 367.178358289 > 4 > 52 > 39.22749246981313 > 1 > 2 > 0 > 1 > 3-hydroxy-2-[hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-6-yl benzoate > 2.19 > 2.4691271816666664 > -2.80 > 0 > 4 > 1 > 14.937991557436497 > 14.009634042257648 > 7.875177582070418 > 70.0 > 102.00080000000001 > 5 > 1 > 5.89e-01 g/l > 3-hydroxy-2-[hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-6-yl benzoate > 0 > NP0289889 > 3-hydroxy-2-[hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-6-yl benzoate $$$$