HMDB0041482 RDKit 3D 3-Benzyl-4-heptanone 35 35 0 0 0 0 0 0 0 0999 V2000 3.4124 -0.6892 1.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 0.5806 1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 0.9087 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 -0.1741 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -1.1702 0.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 -0.0737 -1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -1.3676 -1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5723 -2.5205 -1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 1.0936 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 1.0098 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4992 1.5736 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 1.4522 1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6765 0.7659 1.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 0.1956 0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8219 0.3232 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 -0.6171 2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8543 -1.5788 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7744 -0.8440 0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 1.4132 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 0.5882 2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 0.9928 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 1.8892 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 0.0815 -2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0242 -1.5483 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -1.2725 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -3.1984 -2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 -3.0345 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 -2.1411 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0686 1.1161 -2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 2.0181 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 2.1303 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 1.9073 2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4858 0.6500 2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7584 -0.3477 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9237 -0.1121 -1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 M END