HMDB0001873 RDKit 3D Isobutyric acid 14 13 0 0 0 0 0 0 0 0999 V2000 -0.2790 1.2326 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1441 0.2385 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -0.8103 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.3754 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -0.2231 -1.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -1.1073 0.5413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 0.7974 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 2.1877 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 1.3541 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3746 0.7661 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 -1.0172 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 -1.7558 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 -0.3619 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 -0.9254 0.8611 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 2 0 4 6 1 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 3 11 1 0 3 12 1 0 3 13 1 0 6 14 1 0 M END