HMDB0000954 RDKit 3D Ferulic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -3.0115 2.2634 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 0.9211 -0.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 0.0809 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7503 0.5772 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4068 -0.2078 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 0.4076 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 -0.2739 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 0.3100 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 1.5036 1.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 -0.4310 0.6505 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2249 -1.5045 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0163 -2.0188 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -1.2338 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -1.6994 -1.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 2.8884 -0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 2.4181 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0466 2.6293 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.6273 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 1.4559 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -1.3255 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8458 -0.5492 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -2.1497 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -3.0430 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5619 -2.6462 -1.3244 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 6 19 1 0 7 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 14 24 1 0 M END