HMDB0013809 RDKit 3D (E)-2-octenal 23 22 0 0 0 0 0 0 0 0999 V2000 -3.6997 0.0984 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 0.5757 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 -0.3363 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.0547 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -0.9105 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -0.6154 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7404 0.3880 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 0.6652 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 1.6297 1.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7095 -0.3563 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4503 0.9118 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -0.6624 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 0.4635 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 1.6370 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -0.2438 -1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 -1.3976 0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 1.0826 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -0.0236 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -1.9526 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6163 -0.8468 -1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1318 -1.2190 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 1.0050 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 0.0527 -0.1171 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 3 7 8 1 0 8 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 3 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 M END