HMDB0037114 RDKit 3D Methyl (R)-3-methyl-2-oxopentanoate 22 21 0 0 0 0 0 0 0 0999 V2000 -2.9166 0.5599 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4437 0.7752 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 -0.4129 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 -1.6959 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -0.1237 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8115 -0.0924 2.3375 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5024 0.1195 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 0.1002 -1.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 0.3987 0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 0.6374 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4593 0.2110 0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 1.5477 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 -0.2083 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 1.6808 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 0.9358 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 -0.5387 1.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 -1.4857 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2103 -2.3910 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 -2.2564 0.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 1.0636 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 1.4324 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -0.2572 -1.0497 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 4 18 1 0 4 19 1 0 10 20 1 0 10 21 1 0 10 22 1 0 M END