HMDB0035013 RDKit 3D 2-Phenylethyl propanoate 27 27 0 0 0 0 0 0 0 0999 V2000 4.8444 -0.1889 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -0.5126 -0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 -0.5780 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -1.6900 -0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 0.5598 -0.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 0.6216 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 -0.0610 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8991 -0.0075 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -0.9421 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 -0.7696 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 0.3251 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 1.2895 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6132 1.1105 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 -1.0548 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2773 0.5800 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7537 0.3028 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -1.4586 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 0.3130 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 1.6474 0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -0.0052 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 -1.1227 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3457 0.4158 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 -1.8016 0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 -1.5067 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6535 0.4906 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 2.1653 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 1.8780 -1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END