HMDB0037292 RDKit 3D 2-Butyl-3-phenyl-2-propen-1-al 30 30 0 0 0 0 0 0 0 0999 V2000 2.8917 1.3428 0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7228 0.9106 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 -0.5913 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 -1.3480 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -0.9837 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -1.3194 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.1507 -2.0354 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 -0.4526 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 -0.0613 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -0.6823 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0005 -0.3224 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 0.6432 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2873 1.2525 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 0.9005 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 2.4687 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 1.0227 1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 0.9867 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 1.2127 -0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 1.4442 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -0.8456 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 -0.9179 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0298 -1.0335 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -2.4197 0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 -1.7511 -2.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -0.2973 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4609 -1.4524 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -0.8201 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 0.8914 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 2.0013 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 1.3718 -1.2264 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 1 0 6 7 2 0 5 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END