HMDB0031579 RDKit 3D Ethyl (±)-2-methylpentanoate 26 25 0 0 0 0 0 0 0 0999 V2000 4.0875 -0.1665 -0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 -0.0747 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.3006 -0.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 -0.1851 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 1.2339 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.3025 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8757 -0.4762 -1.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 -0.2284 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3399 -0.3422 -0.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -0.2271 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9367 -0.7250 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 -0.7011 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 0.8462 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 0.9559 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 -0.8048 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5895 -1.3077 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.4901 -1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4922 -0.9217 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 1.2224 1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5906 1.4835 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 1.9562 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 0.4872 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4093 -1.2916 -1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3766 -0.8352 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 0.8427 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4251 -0.6276 -0.1256 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 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 5 20 1 0 5 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END