HMDB0039795 RDKit 3D Ethyl 4Z-octenoate 30 29 0 0 0 0 0 0 0 0999 V2000 3.9255 1.1126 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 -0.2212 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -1.2921 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 -0.9528 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3166 -0.7935 -1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -0.4585 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8235 -0.2626 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 0.0468 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8129 -0.6459 -1.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 1.0552 0.3776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 1.3650 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2529 0.2337 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 1.2313 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 1.1850 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1777 1.9315 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1511 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -0.4848 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -1.1893 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 -2.3057 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -0.8258 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -0.9163 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -1.2941 -1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 0.5000 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -1.1832 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 0.5233 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5582 2.2845 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4482 1.5944 -0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -0.5441 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 -0.2471 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2796 0.7047 0.4821 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 M END