HMDB0000808 RDKit 3D N-Butyrylglycine 21 20 0 0 0 0 0 0 0 0999 V2000 -3.7816 0.1242 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3696 0.5443 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 -0.3002 0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 0.2392 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0889 1.2399 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 -0.3280 0.4621 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 0.2578 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -0.4766 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -1.4774 1.4963 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -0.0745 0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -0.0446 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 0.9465 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -0.7839 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 0.5186 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2126 1.6007 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 -0.3820 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 -1.3536 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -1.1660 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 1.3391 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 0.1914 -1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 -0.6146 -0.1395 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 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 6 18 1 0 7 19 1 0 7 20 1 0 10 21 1 0 M END