HMDB0036385 RDKit 3D Methyl 4-phenylbutanoate 27 27 0 0 0 0 0 0 0 0999 V2000 4.4138 0.4154 -1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 0.2848 -0.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 -0.7178 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -1.5456 -0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -0.8138 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 -0.8413 1.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0516 0.4474 0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 0.3941 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9259 -0.0956 -1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2881 -0.1379 -1.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 0.2808 -0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8109 0.7700 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4664 0.8121 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 1.4949 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 0.2606 -2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3568 -0.1622 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 0.0241 2.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1025 -1.7539 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -1.7048 0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.8411 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 0.5043 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 1.3320 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2418 -0.4413 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6244 -0.5226 -2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 0.2550 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 1.1127 1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 1.1895 1.8709 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 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END