HMDB0000392 RDKit 3D 2-Octenoic acid 24 23 0 0 0 0 0 0 0 0999 V2000 -3.6450 -0.2655 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -0.3197 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2924 0.2561 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1726 0.2361 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0815 0.8213 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 0.0577 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 -0.5515 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 -0.5840 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 -1.2341 0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 0.0051 -0.9613 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 0.6725 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -1.1683 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 -0.2826 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 -1.3790 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 0.2664 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 -0.4643 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 1.2686 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 -0.7961 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 0.8283 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9629 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 1.8450 0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 0.0172 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -1.0813 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1719 0.8893 -1.1698 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 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 10 24 1 0 M END