HMDB0032043 RDKit 3D Benzyl 3-methylbutanoate 30 30 0 0 0 0 0 0 0 0999 V2000 -3.8898 0.1416 0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3776 -0.4717 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1975 0.1000 -1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.1147 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -0.5538 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4034 -1.1865 1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 -0.2640 0.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -0.6592 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6126 -0.1762 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 1.0839 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 1.5759 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 0.7845 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6524 -0.4713 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.9501 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 0.3596 1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 1.1415 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7165 -0.4863 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 -1.5735 -0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2541 -0.1814 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 1.2183 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 -0.2038 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -0.5280 -1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 1.0016 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -0.2873 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3017 -1.7828 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.7086 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 2.5593 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9970 1.2348 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 -1.0662 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -1.9526 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END