HMDB0037716 RDKit 3D 1-Phenylethyl isobutyrate 30 30 0 0 0 0 0 0 0 0999 V2000 -4.1551 0.1309 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9521 -0.1314 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 1.1783 1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -0.4792 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8506 -0.5220 -1.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 -0.7554 0.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6135 -1.0946 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -2.5261 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7280 -0.1549 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 0.3353 -1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5323 1.2093 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 1.6253 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 1.1424 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 0.2659 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 0.6954 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6561 -0.8235 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8362 0.7891 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 -0.9139 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 1.1366 2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 1.2185 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9555 2.0512 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -1.0991 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8868 -2.7385 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -2.5916 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4959 -3.2239 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 0.0291 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1362 1.5983 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 2.3224 0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 1.4495 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 -0.1235 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 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 3 19 1 0 3 20 1 0 3 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END