HMDB0031216 RDKit 3D Ethyl acetoacetate 19 18 0 0 0 0 0 0 0 0999 V2000 3.5327 0.6188 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2474 0.4146 -0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 -0.0391 0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -0.2745 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 -0.0724 -1.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 -0.7415 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 -0.8951 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 0.2131 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -1.9262 -0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5217 1.5361 0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7679 -0.2929 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 0.7140 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -0.3042 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.3992 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 -1.7497 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 -0.0780 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 0.3922 0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1308 -0.0565 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8795 1.1421 -0.8115 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 7 9 2 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 6 15 1 0 6 16 1 0 8 17 1 0 8 18 1 0 8 19 1 0 M END