HMDB0039793 RDKit 3D (E)-4-Octenoic acid 24 23 0 0 0 0 0 0 0 0999 V2000 -3.8977 0.0206 0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 0.2219 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -0.6069 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 -0.5116 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 0.2241 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 0.3149 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 -0.1572 0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -0.0910 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -0.4512 1.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 0.3680 -0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 -0.9457 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2672 0.8590 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 -0.1123 -0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9226 -0.0396 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 1.3038 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 -0.2096 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.6503 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 -1.0924 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0542 0.7956 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 1.3771 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.2865 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3001 0.5067 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -1.1876 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 1.3502 -1.0031 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 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 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 10 24 1 0 M END