HMDB0041612 RDKit 3D Phenyl butyrate 24 24 0 0 0 0 0 0 0 0999 V2000 -3.4052 0.9103 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 -0.3875 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1784 -0.4147 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 -0.2849 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 -0.1704 -0.9342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -0.2925 1.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 -0.1756 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.2945 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 -1.1561 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0455 0.0760 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 1.1911 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 1.0575 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 1.1796 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 1.7089 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 0.7736 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -0.4893 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 -1.2257 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -1.3764 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 0.3870 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -2.2975 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -2.0436 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0411 0.1825 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7685 2.1981 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 1.9440 0.5934 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 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 2 16 1 0 2 17 1 0 3 18 1 0 3 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