HMDB0040268 RDKit 3D Ethyl 3-oxo-3-phenylpropanoate 26 26 0 0 0 0 0 0 0 0999 V2000 -4.4356 -0.4677 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 0.7590 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3612 0.5448 -0.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -0.4884 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5618 -1.2689 -1.5117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 -0.7054 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.2940 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 1.1595 0.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 0.2420 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 -0.7038 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 -0.7449 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 0.1601 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8355 1.1001 0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4611 1.1509 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4143 -0.6649 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -0.3112 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -1.3402 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 0.9637 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 1.6534 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 -0.5934 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -1.7128 -0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -1.4190 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4291 -1.5040 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 0.1433 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 1.8414 1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 1.9127 1.3451 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 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 6 20 1 0 6 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END