HMDB0000209 RDKit 3D Phenylacetic acid 18 18 0 0 0 0 0 0 0 0999 V2000 1.8439 -1.1936 -1.4173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -0.5513 -0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 -0.5743 -0.2528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 0.2113 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 0.1586 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 -0.8066 0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1302 -0.7575 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6302 0.2030 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 1.1649 -1.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4748 1.1207 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 -0.9324 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 1.2851 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -0.2288 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -1.5476 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.5295 0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 0.1664 -0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 1.9100 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 1.9017 -1.1110 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 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 3 11 1 0 4 12 1 0 4 13 1 0 6 14 1 0 7 15 1 0 8 16 1 0 9 17 1 0 10 18 1 0 M END