HMDB0031217 RDKit 3D Ethyl acetate 14 13 0 0 0 0 0 0 0 0999 V2000 -1.8559 0.6021 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -0.7619 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1228 -0.6037 0.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9741 -0.0635 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 0.0714 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 0.2873 -1.4566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 0.5363 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 1.3826 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4962 0.8962 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -1.4682 -0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 -1.1771 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 -0.8262 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 0.9312 -0.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 0.1936 1.0600 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 4 6 2 0 1 7 1 0 1 8 1 0 1 9 1 0 2 10 1 0 2 11 1 0 5 12 1 0 5 13 1 0 5 14 1 0 M END