HMDB0060367 RDKit 3D 3-Carbamoyl-2-phenylpropionic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -3.6466 0.8754 0.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 0.3966 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 0.5238 2.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 -0.2216 0.8639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 -0.4050 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -1.0994 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 -1.3346 -2.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -0.9235 -2.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -1.9829 -2.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -0.2743 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 1.0266 -0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 1.8414 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 1.2971 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 0.0020 1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6784 -0.7811 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 0.8566 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 0.4272 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 0.5082 -1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3236 -1.1001 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -2.1005 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 -1.5396 -2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 1.4449 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1723 2.8501 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6074 1.9419 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 -0.4210 2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -1.8082 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 3 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 9 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 15 26 1 0 M END