HMDB0034470 RDKit 3D 2-Phenylpropyl isobutyrate 33 33 0 0 0 0 0 0 0 0999 V2000 -3.9307 0.1050 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0614 0.3843 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5515 1.8047 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -0.6114 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 -1.3722 -1.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -0.7697 0.7541 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 -1.6881 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 -1.4962 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -2.5668 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6812 -0.1868 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3777 0.1621 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 1.3782 0.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 2.2772 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2974 1.9207 -1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 0.7026 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9237 -0.9917 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 0.4999 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 0.5569 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 0.2760 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 2.1737 -1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7452 1.9138 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 2.4432 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -1.5000 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 -2.7445 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 -1.5612 -1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0071 -2.2382 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 -2.8156 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -3.4867 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 -0.5074 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5785 1.6810 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5056 3.2348 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 2.5890 -2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 0.4336 -2.2785 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 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 3 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