HMDB0032415 RDKit 3D 2-Methyl-4-phenylbutyraldehyde 26 26 0 0 0 0 0 0 0 0999 V2000 -2.2452 -0.9663 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -0.1009 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 1.1825 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.6684 1.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 -0.7949 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -1.3401 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -0.3782 -0.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 0.2835 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 1.1997 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 1.4550 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 0.8205 1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.0957 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -1.9145 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 -1.2681 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.3907 2.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 0.1885 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 1.7459 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 -1.6406 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 -0.1035 -1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 -1.8218 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 -2.1773 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 0.1007 -2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 1.6961 -1.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 2.1742 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 1.0341 2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 -0.5565 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 2 5 1 0 5 6 1 0 6 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 3 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 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