HMDB0030027 RDKit 3D Methyl 3-methylbutanoate 20 19 0 0 0 0 0 0 0 0999 V2000 3.0434 0.3072 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 0.0919 -0.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 -0.7058 0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8322 -1.2693 1.6296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -0.8848 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 -0.1194 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 -0.3860 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 1.3364 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3994 0.4947 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 -0.6125 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 1.1818 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -0.6983 1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.9740 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 -0.5892 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8915 -1.1764 -0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1541 0.5399 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 -0.7835 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 1.9717 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 1.6851 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 1.5907 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 1 9 1 0 1 10 1 0 1 11 1 0 5 12 1 0 5 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