446337 -OEChem-10051719433D 23 24 0 1 0 0 0 0 0999 V2000 2.8783 0.0001 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 -0.0006 -0.8089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -1.1504 -0.0502 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5822 1.1502 -0.0518 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7568 -0.7631 1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 0.7651 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9033 -1.2972 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9031 1.2968 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 -0.0001 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -0.0009 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 -2.0881 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 2.0876 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 -1.1672 2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -1.1290 1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 1.1306 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 1.1711 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 -1.5799 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -2.0756 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 2.0759 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 1.5785 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 -0.0006 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 -0.8799 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 0.8773 -1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > DB01874 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQXLDOJGLXJCSE-KNVOCYPGSA-N/SDF?record_type=3d > CN1[C@H]2CC[C@@H]1CC(=O)C2 > InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+ > QQXLDOJGLXJCSE-KNVOCYPGSA-N > C8H13NO > 139.1949 > 139.099714043 > 2 > 23 > 0.9870131700172373 > 15.347645197569488 > 1 > 0 > 0 > 0 > (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one > 0.44 > 0.6984643986666668 > 0.59 > 0 > 1 > 2 > 1 > 18.864294333722615 > 8.880819792325092 > 20.310000000000002 > 39.344899999999996 > 0 > 1 > 5.41e+02 g/l > biotin > 1 $$$$