HMDB0040411 RDKit 3D Ethyl 3-phenylpropanoate 27 27 0 0 0 0 0 0 0 0999 V2000 4.6810 0.5580 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 -0.6376 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 -0.5072 -1.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -0.3365 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -0.3019 1.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 -0.2025 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 -0.0350 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 0.1108 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 1.3186 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 1.3685 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 0.2272 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -0.9940 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 -1.0331 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 0.5564 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 0.4311 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 1.5214 -0.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.5381 -0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -0.7831 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 -1.1408 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 0.6052 -1.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.8372 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3284 -0.9279 1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 2.2288 0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3704 2.3373 -0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 0.2699 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -1.9139 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 -2.0191 0.5343 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 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