HMDB0002271 RDKit 3D Imidazolepropionic acid 18 18 0 0 0 0 0 0 0 0999 V2000 -1.0924 0.7055 -1.6023 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 -0.0495 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 0.1890 -1.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -1.1738 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4068 -0.7141 0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 -0.1054 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.2206 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 1.3586 -0.5345 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.1286 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 -0.7693 -0.1235 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8073 0.4499 -0.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 -1.6673 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0018 -2.0118 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 -0.0456 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0613 -1.6093 1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 2.0630 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 2.2198 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 -0.1887 -0.9520 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 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 14 1 0 5 15 1 0 7 16 1 0 8 17 1 0 9 18 1 0 M END