HMDB0006236 RDKit 3D Phenylacetaldehyde 17 17 0 0 0 0 0 0 0 0999 V2000 2.2250 -0.5244 -1.2407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5908 -0.4988 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -0.2083 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.0092 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -1.0554 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8502 -0.8765 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 0.3604 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.4259 -0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1982 1.2497 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6243 -0.6843 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 0.6946 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -1.0929 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 -2.0372 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 -1.7390 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 0.4761 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 2.4015 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4807 2.0994 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 2 10 1 0 3 11 1 0 3 12 1 0 5 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 9 17 1 0 M END