HMDB0037194 RDKit 3D Ethyl (±)-2-ethyl-3-phenylpropanoate 33 33 0 0 0 0 0 0 0 0999 V2000 -4.5111 1.0898 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 1.0566 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 0.6103 -0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5166 0.4540 -1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 0.7326 -2.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.0061 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1756 -1.3857 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 -2.2898 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6448 0.9696 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 0.5335 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 -0.2366 1.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -0.6299 1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6424 -0.2672 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 0.5076 -0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0209 0.9120 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 1.5464 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8954 1.6573 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5802 0.0439 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7992 2.0848 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 0.3528 -0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.1106 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -1.7562 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 -1.3051 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -2.0787 -2.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -3.3474 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -2.0594 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 1.0241 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 1.9449 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 -0.5273 2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.2302 2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -0.5775 0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 0.7709 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 1.5164 -1.4500 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 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END