HMDB0094661 RDKit 3D 1-Phenyl-2-hexanone 29 29 0 0 0 0 0 0 0 0999 V2000 3.9719 0.6670 1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 -0.0776 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 0.4461 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -0.2064 -1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3774 -0.0292 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1684 0.6379 0.2639 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 -0.6428 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -0.2946 -0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5865 -1.0802 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.7806 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 0.3734 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9165 1.1697 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 0.8681 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 0.4558 2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 1.7549 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 0.2942 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1907 -1.1499 1.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 0.0290 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8156 0.3474 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6431 1.5481 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 0.2357 -2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -1.3162 -1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 -0.2264 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 -1.7430 -1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0107 -1.9883 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1054 -1.4461 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 0.6325 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 2.0704 -0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 1.5064 -1.8339 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 M END