HMDB0031557 RDKit 3D 4-Methyloctanoic acid 29 28 0 0 0 0 0 0 0 0999 V2000 3.7105 0.0244 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9655 0.7171 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4809 0.7914 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9052 -0.5759 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 -0.5851 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -2.0218 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 0.2051 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 0.1848 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1828 0.7389 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9395 0.0351 -1.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 1.9780 -0.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 0.4869 -1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7969 0.1926 -0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -1.0446 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 0.1913 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 1.7223 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 1.3756 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 1.3969 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -1.1648 1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 -1.0720 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6985 -0.1277 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -2.4264 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0877 -2.1492 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -2.6560 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2153 -0.1881 1.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 1.2661 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 -0.8218 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 0.8214 1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 2.7054 -0.3048 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 11 29 1 0 M END