HMDB0040327 RDKit 3D Pentyl formate 20 19 0 0 0 0 0 0 0 0999 V2000 2.3996 0.8870 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 0.2551 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4437 0.0805 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 -0.8110 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.9889 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 0.2969 0.5153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 0.4815 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0723 -0.5645 0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 0.0987 1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 1.4392 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6323 1.6299 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 0.9865 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4648 -0.6785 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 1.0430 -0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -0.3761 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 -0.3110 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 -1.7873 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -1.6854 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -1.4627 -0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 1.4671 0.7861 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 1 9 1 0 1 10 1 0 1 11 1 0 2 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 M END