HMDB0032042 RDKit 3D Butyl 3-methylbutanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -5.2712 0.4807 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 -0.0811 -0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7941 0.5150 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -0.1170 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 0.3570 0.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 -0.1456 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 -1.0080 -0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 0.2802 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 -0.4643 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 -0.0819 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -0.2578 -1.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 0.6215 1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 -0.2846 -0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5183 1.3852 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 -1.1812 -0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.0482 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 1.6105 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 0.3513 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 0.0536 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -1.2241 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 1.3637 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0982 -0.0588 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 -1.5659 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 -0.7477 1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3586 -0.2244 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 0.9809 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -1.1864 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 0.0206 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 0.5605 -1.5820 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 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END