HMDB0039216 RDKit 3D Butyl 2-methylbutanoate 29 28 0 0 0 0 0 0 0 0999 V2000 -4.4379 -0.1869 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9816 -0.5147 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6844 -0.0502 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -0.3271 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 0.3429 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 0.2506 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 -0.4618 1.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 0.9395 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.4724 -1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 0.7359 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -0.6933 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0914 -0.9823 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 0.7634 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 -0.1657 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 -1.6062 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3769 0.0846 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8924 1.0300 0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -0.5840 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -1.4085 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 0.0964 2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7283 2.0170 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 0.9537 -2.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 0.7396 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 -0.6479 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 1.2500 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 1.2490 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 -1.0433 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 -1.3929 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -0.8600 -0.1366 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 8 10 1 0 10 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 9 22 1 0 9 23 1 0 9 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