HMDB0038972 RDKit 3D (E)-2-Butyl-2-octenal 35 34 0 0 0 0 0 0 0 0999 V2000 -4.5703 1.5884 0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 0.2352 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3238 -0.6141 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9915 -0.1434 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -1.2049 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3986 -0.8156 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 -1.4401 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -2.6831 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -3.2648 -2.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5464 -0.8802 -0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8164 0.3815 -0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 0.9325 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4007 2.2042 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 2.3063 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 2.0886 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2109 1.6329 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4131 -0.3285 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6133 0.3178 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 -0.8360 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4775 -1.6143 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 -0.0768 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.7852 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -1.3074 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2786 -2.1859 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7732 0.1246 0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1892 -3.0973 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3196 -1.6595 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 -0.7519 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 1.1665 -0.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 0.2131 0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 1.1884 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 0.2181 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8254 1.9197 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 2.8669 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 2.7335 0.3823 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 7 8 1 0 8 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 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 5 23 1 0 5 24 1 0 6 25 1 0 8 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END