449120 -OEChem-10051719413D 25 25 0 1 0 0 0 0 0999 V2000 -2.6505 -0.6491 0.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 -0.0667 -0.2989 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 0.5752 0.3928 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1305 -0.8405 0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 0.9513 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.8538 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 -1.4247 -0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7701 1.5931 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 0.1751 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 1.5400 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 0.5815 1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -1.1350 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5179 -0.8573 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 1.9253 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.0255 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -2.8407 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -1.9445 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -1.4241 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -2.1277 -0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 1.3394 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 1.6291 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 2.5964 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1358 1.9075 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 2.2357 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 1.4785 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END > DB01742 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XKFPNHDGLSYZRC-SSDOTTSWSA-N/SDF?record_type=3d > C[C@@H]1CCCN(C1)C(C)=O > InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3/t7-/m1/s1 > XKFPNHDGLSYZRC-SSDOTTSWSA-N > C8H15NO > 141.2108 > 141.115364107 > 1 > 25 > 7.833214846472898e-09 > 16.56429593946462 > 1 > 0 > 0 > 0 > 1-[(3R)-3-methylpiperidin-1-yl]ethan-1-one > 0.91 > 0.6324027613333332 > -0.01 > 0 > 0 > 1 > 0 > -1.1060599582262824 > 20.310000000000002 > 40.8729 > 0 > 1 > 1.39e+02 g/l > biotin > 1 $$$$