HMDB0040575 RDKit 3D Butyl formate 17 16 0 0 0 0 0 0 0 0999 V2000 -2.4451 0.5720 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 -0.1731 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 -0.0450 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -0.8451 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -0.8635 -0.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 0.2768 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 1.3646 -0.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 0.7790 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0769 -0.0542 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1656 1.5248 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.2666 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4487 -1.2510 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 0.9887 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 -0.5224 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -0.4201 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 -1.8916 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 0.2936 -1.3095 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 2 0 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 4 15 1 0 4 16 1 0 6 17 1 0 M END