HMDB0030060 RDKit 3D Methyl 3-phenylpropanoate 24 24 0 0 0 0 0 0 0 0999 V2000 4.7683 -0.5141 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4416 -0.9417 -0.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 -0.0434 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 1.1271 -0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9843 -0.4499 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 0.7539 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 0.4260 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 0.5763 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2094 0.2729 1.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -0.1944 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 -0.3457 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1817 -0.0419 -0.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 -0.6260 -1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 0.5573 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4937 -1.1502 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -1.2712 -0.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -0.8133 1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 1.6137 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 1.0358 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 0.9467 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 0.3937 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0855 -0.4392 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1225 -0.7144 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 -0.1578 -1.9476 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END