HMDB0031208 RDKit 3D 1-Phenyl-1-pentanone 26 26 0 0 0 0 0 0 0 0999 V2000 -3.3496 0.1372 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3876 0.0348 -0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -0.7921 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 -0.0805 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2835 -0.7965 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 -1.8699 -1.3148 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -0.2227 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 0.9490 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 1.4914 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0386 0.8011 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -0.3899 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 -0.8874 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8662 -0.7724 1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3629 0.2724 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 0.9889 1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 1.0736 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 -0.4095 -0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 -0.9878 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 -1.7781 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 -0.0467 0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 0.9569 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.4999 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0146 2.4166 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 1.1592 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8771 -0.9195 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 -1.8277 -1.1892 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 M END