HMDB0000060 RDKit 3D Acetoacetic acid 13 12 0 0 0 0 0 0 0 0999 V2000 -1.6992 0.3663 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 0.0218 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 0.4764 1.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5028 -0.8131 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 -0.2493 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -1.0467 -1.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 1.1154 -0.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 1.4525 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -0.2860 -0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 0.1410 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 -0.8730 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -1.8617 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 1.5565 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 1 8 1 0 1 9 1 0 1 10 1 0 4 11 1 0 4 12 1 0 7 13 1 0 M END