HMDB0002359 RDKit 3D Phenylpropiolic acid 17 17 0 0 0 0 0 0 0 0999 V2000 4.3653 -0.6670 -1.3347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 -0.3741 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6203 -0.1827 0.8754 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -0.2578 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.1506 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.0175 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 1.1771 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 1.3230 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 0.2493 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -0.9594 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.0953 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 0.2502 1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 2.0340 -0.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 2.2570 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1368 0.3144 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0105 -1.8367 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 -2.0640 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 3 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 3 12 1 0 7 13 1 0 8 14 1 0 9 15 1 0 10 16 1 0 11 17 1 0 M END