Mrv1652304282222462D 21 23 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 0 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 1 0 0 0 0 0 0 0 0 0 1.6087 0.8249 0.0000 C 0 0 1 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 2.1231 1.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 3.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 3.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 3.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 2.8829 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 -0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 -0.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 -1.3473 0.0000 C 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 6 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 16 1 0 0 0 0 5 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 1 21 1 1 0 0 0 M END > NP0075498 > NP-MRD > CN1[C@H]2C[C@@H](O)[C@@H]1[C@@H](CC1=CC=CC=C1)[C@H](C2)OC(C)=O > InChI=1S/C17H23NO3/c1-11(19)21-16-10-13-9-15(20)17(18(13)2)14(16)8-12-6-4-3-5-7-12/h3-7,13-17,20H,8-10H2,1-2H3/t13-,14-,15+,16-,17-/m0/s1 > ALFQXJMKHQUKOJ-KSWRQPAISA-N > C17H23NO3 > 289.375 > 289.167793605 > 3 > 44 > 31.7280902796154 > 1 > 1 > 0 > 1 > (1S,2R,3S,5S,7R)-2-benzyl-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl acetate > 1.76 > 1.3846846593333324 > -2.01 > 0 > 3 > 1 > 14.531829499564992 > 9.102694759171094 > 49.769999999999996 > 80.1756 > 4 > 1 > 2.85e+00 g/l > (1S,2R,3S,5S,7R)-2-benzyl-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl acetate > 0 > NP0075498 > (+)-Knightoline $$$$