446220 -OEChem-10051719253D 43 45 0 1 0 0 0 0 0999 V2000 -0.6923 -0.1549 0.4068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 2.7599 0.3222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 1.7946 -0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 -2.3104 0.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1998 -0.3456 -0.8103 N 0 0 2 0 0 0 0 0 0 0 0 0 3.0908 0.1240 0.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5793 -1.6811 -0.7568 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6155 0.5331 0.8254 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4745 -1.1044 1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -2.3020 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 -1.4497 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 -0.6278 0.5429 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5776 -0.3774 -1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 1.7488 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -1.1061 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 3.9831 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.4858 0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9396 -1.1079 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2455 0.6932 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 -0.5255 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5074 1.2756 0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4853 0.6662 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 0.9639 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 -2.2915 -1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 0.8389 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -1.1442 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -1.1078 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 -2.8803 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -2.9750 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.9525 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -2.4399 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -1.2861 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 -0.7386 -2.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 -1.0098 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9938 0.6360 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 4.3820 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 3.8209 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 4.7053 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -2.0340 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 1.1805 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9626 -0.9994 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 2.2020 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4679 1.1195 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > DB00907 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZPUCINDJVBIVPJ-LJISPDSOSA-N/SDF?record_type=3d > [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C > InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 > ZPUCINDJVBIVPJ-LJISPDSOSA-N > C17H21NO4 > 303.3529 > 303.147058165 > 3 > 43 > 0.9859370958617828 > 32.021384957687346 > 1 > 0 > 0 > 1 > methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate > 1.97 > 2.2821080089999994 > -1.78 > 0 > 1 > 3 > 1 > 8.845774190899235 > 55.84 > 81.16040000000001 > 5 > 1 > 5.03e+00 g/l > tetrahydrofolic acid > 0 $$$$