HMDB0040447 RDKit 3D Butyl acetoacetate 25 24 0 0 0 0 0 0 0 0999 V2000 3.3606 1.4742 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 0.6443 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 -0.6404 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 -1.5364 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -0.9733 0.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -0.5144 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -0.5973 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 0.0658 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0722 0.5105 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -0.0182 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 1.2824 -1.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0517 2.1548 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.0184 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 0.7517 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 0.3919 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 1.1818 0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 -0.3766 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -1.1536 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 -1.7601 1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -2.5307 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -0.7254 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 0.9448 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 0.5639 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3809 -1.0836 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8706 -0.0747 0.7451 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 6 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 8 21 1 0 8 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 M END