HMDB0036396 RDKit 3D 3-Methylbutyl 3-oxobutanoate 28 27 0 0 0 0 0 0 0 0999 V2000 4.9919 -0.4511 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 0.2186 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 1.3748 0.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.5686 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 0.2637 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.3485 -0.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 -0.0857 1.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 0.7065 1.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 0.9762 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.2431 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 -1.0244 1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4294 0.1695 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 -1.2163 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8901 -0.9276 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8141 0.3016 -0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -1.4813 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -0.8886 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 0.3347 2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 1.7146 1.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 1.6291 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 1.5939 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 -0.9195 -0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 -2.1140 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -0.7233 2.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.9424 1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0456 -0.6660 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 0.9706 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 0.6497 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 4 17 1 0 8 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 11 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END