HMDB0031587 RDKit 3D 2-Methylheptanoic acid 26 25 0 0 0 0 0 0 0 0999 V2000 3.4099 0.7653 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 0.5116 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 -0.7985 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2883 -1.4285 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 -0.8298 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 0.4399 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 0.9087 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 0.3575 -1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 1.0681 -2.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 -0.5544 -2.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6355 1.8405 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 0.1562 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 0.4635 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 1.3491 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 0.6166 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.5326 -0.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8226 -0.7290 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 -2.4852 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -1.7337 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7628 -1.6210 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 -0.6653 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7233 1.2795 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 1.6150 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 0.0529 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 1.4361 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -0.4825 -1.7109 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 1 0 6 8 1 0 8 9 2 0 8 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 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 10 26 1 0 M END