HMDB0040296 RDKit 3D Propyl pentanoate 26 25 0 0 0 0 0 0 0 0999 V2000 4.0094 -0.4910 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 -0.1431 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 0.9650 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 1.3533 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2502 0.2646 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.9055 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 0.4673 -0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4318 -0.5342 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 -1.0732 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 0.0121 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 -1.4800 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 -0.4266 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 0.2890 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 -1.0695 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 0.2718 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8141 0.6831 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 1.8503 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 2.1991 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0568 1.7505 -1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -0.0317 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0711 -1.3823 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 -1.8148 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 -1.6269 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2388 0.9828 0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 -0.1417 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 0.0315 0.8238 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 2 0 5 7 1 0 7 8 1 0 8 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 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M END