HMDB0031248 RDKit 3D Ethyl 2-methylpropanoate 20 19 0 0 0 0 0 0 0 0999 V2000 2.8977 -0.3822 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2939 0.8586 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9109 0.9586 0.0067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 0.0844 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.9139 1.1339 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 0.2414 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -0.8577 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 0.3584 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -0.1774 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 -1.2671 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.6494 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 0.9390 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 1.7278 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7889 1.1948 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 -1.1639 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3191 -0.4468 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 -1.7153 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1659 1.0238 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 0.8156 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9968 -0.6288 -1.6635 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 4 6 1 0 6 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 6 14 1 0 7 15 1 0 7 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 M END