HMDB0034469 RDKit 3D 2-Phenylpropyl butyrate 33 33 0 0 0 0 0 0 0 0999 V2000 5.6724 -0.2633 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 0.3706 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3384 -0.7467 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -0.2537 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 0.9578 0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 -1.1988 0.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.9253 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 -0.1253 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 -0.8745 -1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 0.1527 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9629 1.4255 0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 1.6009 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 0.5338 0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6109 -0.7237 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -0.8988 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2936 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -0.3783 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5012 0.3099 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 0.9846 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 1.0251 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -1.3627 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.3374 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8883 -1.8992 0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 -0.4011 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 0.8449 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 -0.1734 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -1.7090 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -1.1882 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 2.2791 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7204 2.5839 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1884 0.6749 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2218 -1.5974 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 -1.9100 0.2919 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 1 0 8 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 3 21 1 0 3 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 9 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