HMDB0000329 RDKit 3D 2-Phenylbutyric acid 24 24 0 0 0 0 0 0 0 0999 V2000 -2.1922 -1.1542 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 0.0470 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8355 0.8688 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8775 2.0204 0.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 2.1741 1.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 2.9732 0.7084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 0.1236 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.5003 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 -1.1938 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 -1.2820 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 -0.6638 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 0.0306 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 -2.0542 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3101 -1.3520 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0696 -1.0502 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -0.2175 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9501 0.7169 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8554 1.2750 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4562 3.4310 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -0.4560 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -1.6657 2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 -1.8287 0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 -0.7292 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 0.4871 -1.9548 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 3 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 6 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