HMDB0041559 RDKit 3D Butyl heptanoate 35 34 0 0 0 0 0 0 0 0999 V2000 -5.7090 -0.6688 -1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5386 0.6050 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 0.5021 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 0.3690 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 0.2751 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 0.1379 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 0.0554 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 0.1018 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 -0.0785 -0.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -0.1542 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2679 -0.2941 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -0.3790 0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7077 -0.5172 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1457 -1.5128 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -0.4935 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7972 -0.9300 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 0.5959 0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6372 1.5142 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1657 -0.3838 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 1.4070 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 -0.5342 -1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 1.2595 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 1.2577 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9237 -0.5715 0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 1.0396 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 -0.7914 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -1.0243 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 0.7530 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2244 -1.1910 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 0.5771 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3709 -1.2714 1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 0.5479 1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6074 0.1221 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -0.1311 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8752 -1.5576 -0.3432 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 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END