HMDB0011751 RDKit 3D 3-Methoxybenzenepropanoic acid 25 25 0 0 0 0 0 0 0 0999 V2000 -3.1512 1.2254 1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -0.0046 0.5839 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1906 -0.5239 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 -1.7292 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -2.2349 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 -1.5423 -1.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -0.3444 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 0.4673 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 0.1815 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 1.0763 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 1.8955 -0.5852 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 1.0713 1.2705 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9846 0.1294 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1264 1.3865 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3834 1.1850 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 2.0403 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2226 -2.2308 -0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2713 -3.1964 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -1.9249 -1.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 0.3659 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5346 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7922 0.3216 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6713 -0.8675 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 0.6369 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 1.0816 0.4326 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 7 13 2 0 13 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 9 23 1 0 12 24 1 0 13 25 1 0 M END