HMDB0031478 RDKit 3D Methyl heptanoate 26 25 0 0 0 0 0 0 0 0999 V2000 -3.5503 0.5391 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 -0.4427 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -0.8013 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 0.3247 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0705 1.1007 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 0.2054 1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0461 -0.4090 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 -1.4164 -0.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3021 0.1426 0.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3995 -0.3417 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 1.5297 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5101 0.6366 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 0.1957 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3873 -0.1174 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -1.3767 0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -1.2996 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -1.5872 0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 -0.0935 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 1.0195 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.8625 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 1.6364 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 -0.6557 1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 0.7834 2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -0.2703 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 -1.3979 -0.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 0.2332 -0.0889 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 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 6 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END