HMDB0001955 RDKit 3D 3-Phenylbutyric acid 24 24 0 0 0 0 0 0 0 0999 V2000 0.9058 -1.8118 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -0.3428 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5854 0.2778 -0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0092 0.0937 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -0.4817 0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 0.6143 -1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7002 0.0225 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 -0.4170 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 -0.0130 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 0.8296 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 1.2695 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 0.8608 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -2.0837 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 -2.0498 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1204 -2.4450 0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9366 0.1455 1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 -0.2164 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 1.3595 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 1.5554 -1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 -1.0692 -1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -0.3920 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 1.1103 -0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2285 1.9340 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9474 1.2497 1.8388 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 2 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 3 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